# systems

unique_id: 3c300b40a8fee2a5e576051de536b9af
key_value_pairs: {}
constraints:
  [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17]}}]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCH", "totalE": -153.26896200000002, "Ef": 0.027493152999994663}


unique_id: 16b6f12335dd7cee1885dce028fbe012
key_value_pairs: {}
constraints:
  [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17]}}]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHO", "totalE": -160.666721, "Ef": 0.1592987219999884}


unique_id: 48b3bdbbdf0dbdd34312475e65bec889
key_value_pairs: {}
constraints:
  [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17]}}]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCHHCO", "totalE": -180.03118999999998, "Ef": 0.426594738499972}


unique_id: e42f20ecfa015c762b44036da152a7e0
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCCHHOH", "totalE": -176.276366, "Ef": 0.12589687500002356}


unique_id: 3b301acfbfbe45f17c31798da3342d6c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCCHO", "totalE": -169.16223200000002, "Ef": 0.01718846399995755}


unique_id: 235f161efb96ef622fd98a8ee3c36fc8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCCHHH", "totalE": -176.844575, "Ef": -0.31541412499998955}


unique_id: 1bfb276cef68e04e6ed5e19b120b8268
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCHC", "totalE": -169.383176, "Ef": -0.053841536000021506}


unique_id: 98606adeb51be8f00dee307dfb4ec1a3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "CC", "totalE": -153.079226, "Ef": 1.3486294839999573}


unique_id: b2dbf81044fb8617ece672376f4aaaad
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCOCHHH", "totalE": -177.325285, "Ef": -0.8482591249999984}


unique_id: f2888ef638db116cb5d3ca1e410ccec8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCCHH", "totalE": -172.954288, "Ef": -0.03227783050002131}


unique_id: 4a035e12b59f9143d3841e83d1322b1c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "OCCO", "totalE": -168.609869, "Ef": 1.1389396219999526}


unique_id: 2284cde8ef2cf699e1f582848294388f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHC", "totalE": -162.099819, "Ef": -0.25826510500002087}


unique_id: 216e62a49acc03fc8d3126c91550165b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCCH", "totalE": -162.22961899999999, "Ef": -0.38701910500000736}


unique_id: 1e4d7247196c9ac2d07bbd6373e43bc6
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCHCHO", "totalE": -180.592085, "Ef": -0.14302326150001932}


unique_id: d2c9f2cbf00f28be168b9ce7aef43c9a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHCHH", "totalE": -170.388876, "Ef": -1.445256693999994}


unique_id: 6484d815f7b4203f895a39b8896e4c8b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCHHCHH", "totalE": -180.728509, "Ef": -0.7424364194999669}


unique_id: afb80cfb644bc2853597bade44fa510e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HO", "totalE": -148.710502, "Ef": -0.047442725499990956}


unique_id: ac14124436aed5c5a6ac60eecd12087c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCCHOH", "totalE": -173.096428, "Ef": -0.2971138304999954}


unique_id: 73ef64451046a4044d6fe5c534952158
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HC", "totalE": -149.578716, "Ef": 0.15035944749996588}


unique_id: 732a82b27245ea162faaba3c8e76a4c9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCHHCHO", "totalE": -183.946112, "Ef": 0.04255044399999974}


unique_id: 4853522bd380dab620ab03fd991de487
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "CCO", "totalE": -162.471152, "Ef": -0.28897894700006077}


unique_id: 479a21a340d2a0b43f8900f51a5500cc
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "C", "totalE": -145.32238999999998, "Ef": 0.7749687419999702}


unique_id: b5d1f8edb160d4fa34c4e4f9157bea97
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCOCO", "totalE": -172.20225, "Ef": 0.9002393274999747}


unique_id: dd180dbddefbda9281b25bfc58acdaa0
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCO", "totalE": -156.566804, "Ef": 0.7056310164999786}


unique_id: bf6e588befdd6a005850a8fffbef9d63
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCCOH", "totalE": -176.324553, "Ef": 0.47222403299997495}


unique_id: 4c50ffa446e1d0ead25de3dd05865716
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHCHHH", "totalE": -174.182189, "Ef": -1.6128239884999687}


unique_id: 647bfcf09914b5d2dbd30f6d8f63bac0
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHCO", "totalE": -168.264556, "Ef": 1.1084084639999787}


unique_id: 3315fb87b6055c551908ccea6eb158fb
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHCHHO", "totalE": -175.931304, "Ef": 0.29412787500001514}


unique_id: e8755fc8b9e07b92d33ef62c47d1db95
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCCHO", "totalE": -176.176819, "Ef": 0.6262390329999619}


unique_id: e6b759d18e48252958b1fdda6594bef2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCHHCHHO", "totalE": -188.17248899999998, "Ef": -0.5059178504999693}


unique_id: 2315821076d832deb5c8d352a0c6ada3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCHH", "totalE": -164.08181000000002, "Ef": 0.13644642750000457}


unique_id: eb7394c4bc7a8f8ec978521e75be0be1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHHO", "totalE": -164.880883, "Ef": -0.43308757249999985}


unique_id: 8afbd0e5a0991e4d99baaa05c987d477
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCCHOH", "totalE": -179.613006, "Ef": 0.48676973849998717}


unique_id: 77553c392ed786fa6e4ad637565a5c9d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCHCO", "totalE": -176.646676, "Ef": 0.23785803299998065}


unique_id: 1f942688748e63c7f2a40ce44ee38db1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCCHHH", "totalE": -169.773001, "Ef": -0.7825466939999899}


unique_id: cf7962406faf442fdd64252d0145dfa4
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCOCHO", "totalE": -176.58676200000002, "Ef": 0.2734150329999636}


unique_id: 125c331ce331da0548b0eacb70947fae
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCCHH", "totalE": -166.016269, "Ef": -0.5913043994999896}


unique_id: 57418efab51e4ea0a1b52a81d88f34d9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCHCHH", "totalE": -177.255332, "Ef": -0.8467721249999727}


unique_id: 447d0d63cb9d924777c031a0b7d96b63
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "O", "totalE": -144.665074, "Ef": 0.4515305689999707}


unique_id: 369f23ccbb690e3863621b89158425d3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOC", "totalE": -156.202935, "Ef": 0.9155330164999782}


unique_id: cdd758d4539374d70e45a798bd0d042e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHHCHHO", "totalE": -181.640616, "Ef": -1.4622014194999906}


unique_id: c3b075719f9fd5ec3a90c30f275edf15
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHCO", "totalE": -169.619195, "Ef": -0.24457553600001347}


unique_id: c24fde1989d1016fc4a93c81bef60219
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHCHO", "totalE": -173.930288, "Ef": -0.976537830500007}


unique_id: 490303f08181601e294b45517bed9d66
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCC", "totalE": -164.520838, "Ef": 0.8622697584999628}


unique_id: b01f78b8458610062c52ea149789635d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCC", "totalE": -157.874543, "Ef": 0.3272961894999753}


unique_id: 14e45061d9ee7fa19c477481534b3162
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHOCHHO", "totalE": -184.611851, "Ef": -0.4484425560000034}


unique_id: 9898ba57cb5cf6e09ef1f75684bd2efb
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCHCHHH", "totalE": -180.898786, "Ef": -0.8502994194999758}


unique_id: 8af9d7b91c0d2b8d990ff658e447ba58
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHH", "totalE": -157.552817, "Ef": -0.6908561414999781}


unique_id: cc125051f13fcc7e931bbe18b821b9f9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCCOH", "totalE": -169.300249, "Ef": -0.028323536000016247}


unique_id: c069d7d5b37bfd7535045667671e4b96
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHHCO", "totalE": -173.632651, "Ef": -0.6590238305000184}


unique_id: 7314e089f584a44c1bb4922977e186ea
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCHCHOH", "totalE": -183.953416, "Ef": 0.04371244399999341}


unique_id: aa404eb785aada795ba09f0d252f0884
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "CO", "totalE": -153.56451, "Ef": 0.1357513109999502}


unique_id: d802adfe4ad42dbbeadaba76758a1a20
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCOH", "totalE": -159.998438, "Ef": 0.8291237219999914}


unique_id: a8026b14c09c51336ebb7a23fd6407c1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCCHHO", "totalE": -178.46815, "Ef": 1.6945557384999859}


unique_id: a124886e1f322099c341a51422a97cc1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCHHC", "totalE": -172.696023, "Ef": 0.17848816949998536}


unique_id: 1e28de23f3a15688d0eb3c49def9fc3f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCCO", "totalE": -165.829802, "Ef": -0.04944524150005236}


unique_id: fdb1946da9e602d5907de82d30d20efa
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHHC", "totalE": -166.13050900000002, "Ef": -0.7038133995000067}


unique_id: 3ac6bed4220c330cf05ffbd156748a42
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCCHHO", "totalE": -171.322522, "Ef": 1.3535831694999843}


unique_id: 5edc4a3e1fd760d3ba1b42467135d0f3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCCHHOH", "totalE": -183.259279, "Ef": 0.7402344440000093}


unique_id: 5375d8a1e5750c27c4e968e41cda9cf2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCCO", "totalE": -165.43294699999998, "Ef": 0.2967207584999869}


unique_id: 756215a216ad755166aa7e2e9eafe3ac
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCCO", "totalE": -171.935665, "Ef": 1.2348133274999782}


unique_id: 8604bc143ea59566bf656d13a9951d90
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HCHOCO", "totalE": -175.264681, "Ef": 1.371566032999965}


unique_id: f6a0371447dda02917ee82bd55d5c6cb
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HOCHCHHOH", "totalE": -187.453238, "Ef": -0.015103850499997407}


unique_id: 226accfed37fb4bd207d7a4c595ef854
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C2", "formula": "HH", "totalE": -141.22633000000002, "Ef": -0.04135129450000363}


unique_id: 630e3b0e77aabf80fc5369188290ba6c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHHCHHO", "totalE": -204.758871, "Ef": -1.4707876974999863}


unique_id: 3d85ca7d04fb8e59236adb48bbe479f5
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCCHOH", "totalE": -181.586941, "Ef": -0.23266008850001185}


unique_id: 4df342f785741538a1ab253e43dd179b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHOHCHHH", "totalE": -200.340592, "Ef": -0.5800844029999723}


unique_id: 18f6675fd1b288508506a9ca0f6d5e11
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHCHOH", "totalE": -185.283276, "Ef": -0.32676538300000857}


unique_id: e513a6ad842bc035ca55c2692cafa0b9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCHCHO", "totalE": -189.780872, "Ef": -0.7436075195000456}


unique_id: 19f238ebd24f4a2c196914b28fc22d01
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHOCC", "totalE": -178.223918, "Ef": -0.31253279400004885}


unique_id: b01c0b1d5c898a3c8955c760dce0554e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHCHH", "totalE": -193.603957, "Ef": -1.5334669719999852}


unique_id: 9f323cf394ebd8b8cbf0d636c7711855
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHCOH", "totalE": -186.59653400000002, "Ef": 2.20386348049999}


unique_id: 6adfaa2fa5e0efddfe5834bf585fd5fe
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCO", "totalE": -179.997772, "Ef": 1.539504069499941}


unique_id: e69016571b729455019f6bf9b537da02
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCHO", "totalE": -184.852696, "Ef": 0.3552657749999639}


unique_id: 5f43048ef2f2c9352d7c49c85da4db54
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHOCHO", "totalE": -199.609676, "Ef": 0.5818727550000062}


unique_id: 4e1b795b37df1b70846aca53b588e14e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHCHH", "totalE": -190.260445, "Ef": -1.713832677499994}


unique_id: 2c616d1a36132527b95f73041e92b59c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCCO", "totalE": -178.30191299999998, "Ef": -0.3951887940000347}


unique_id: 88260c5a2bdd815a63d3034dcf406812
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "CCCO", "totalE": -169.830954, "Ef": 0.9211077949999549}


unique_id: db2e2c5b67b46dd05a916abb9707ce1a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCCHH", "totalE": -177.954452, "Ef": -0.43384995200000276}


unique_id: 92526674e2d5a84c362f10e460eb3e08
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHHCOH", "totalE": -181.644826, "Ef": 3.262760616999998}


unique_id: c94609a0db3eea1094adb3a44802411f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHC", "totalE": -180.519097, "Ef": 0.943320911499967}


unique_id: fd7f2f7d01a655cbcfc23f5e7eb6bf82
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHCHHO", "totalE": -195.588392, "Ef": 0.21850989150001965}


unique_id: 92d7935ba61c3eb3c0dd2aa8965d5d12
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCCHHH", "totalE": -192.90156299999998, "Ef": -0.7945189719999917}


unique_id: d959963b8511d962a7662e63d5ca608d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOHCHH", "totalE": -185.537508, "Ef": -0.6363453830000196}


unique_id: 1473801549750baef344dfbaae43ade1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCHHCHHO", "totalE": -191.488539, "Ef": 0.2751540280000029}


unique_id: ddcac0d62bf21f1ab937551ccfff2a07
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHCHHH", "totalE": -197.30928600000001, "Ef": -1.5975712664999548}


unique_id: ee8eeb4b00cab0611a42b3f130904b09
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCOCO", "totalE": -185.391762, "Ef": 0.08215777499995625}


unique_id: a381809d6aee53267ac6370879c95c8a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHOCCO", "totalE": -185.050826, "Ef": 0.27396877499995753}


unique_id: a48a64438736e4b900f8eb65bdaa03af
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHHCH", "totalE": -174.565934, "Ef": 2.824229047999978}


unique_id: c0dbf6f20d8a5be99bbd1b24a998687f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOHCHHH", "totalE": -189.975506, "Ef": -1.5819126775000143}


unique_id: 613784cb422ca15b862cf7bb6ec73436
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHOHCHH", "totalE": -204.252071, "Ef": -1.0639746974999582}


unique_id: c88c8155c34eae29a53df21f8e2afbb3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCCHO", "totalE": -192.97026599999998, "Ef": -0.44098181399999703}


unique_id: 5492e51e21b103a3f3c5a23ba9246d0b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOHCHHOH", "totalE": -196.440139, "Ef": -0.3524881085000118}


unique_id: 9f570e4205b204098bd5338a0ba2a772
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCO", "totalE": -181.30318, "Ef": 0.5442970694999474}


unique_id: bc55a1fc0099e0a2fecaa2ce8ba84306
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHCHHOH", "totalE": -200.51056699999998, "Ef": -0.9551184029999717}


unique_id: 3807b0478527ca553ef6ce335a1876c8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCOCHH", "totalE": -197.490871, "Ef": -1.330580108499987}


unique_id: 65a0288b3fd7a13a1671c117f288bafb
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCOCHHH", "totalE": -193.276337, "Ef": -0.6770778140000004}


unique_id: 942713f035d0f7b7d7214c44535d7fef
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "CCC", "totalE": -160.306595, "Ef": 2.385584225999935}


unique_id: ffae674cafeb91989f8c615f7978a35e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCHH", "totalE": -181.505931, "Ef": -0.10195808849999821}


unique_id: 87fdc522bd74def54c8e735ecf6c383c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOCH", "totalE": -175.804999, "Ef": 1.988192205999951}


unique_id: 6f5ed9337d1ac0b9c5a50bfdedd9e5e2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHOCHH", "totalE": -190.741152, "Ef": 1.858618186000001}


unique_id: ad1c6c590c54572f3ab1c41ee00214ae
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHHCO", "totalE": -196.376014, "Ef": -0.22814610849999895}


unique_id: 4c4fcdf9f519ebc542d5f725c2a68b8c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHCHO", "totalE": -197.19131299999998, "Ef": -1.1132351084999925}


unique_id: 6af72ab7e1795e72b9710995d7cbce6c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOCHHH", "totalE": -193.49531000000002, "Ef": -0.8472608140000091}


unique_id: 4f90c415a55e20101c5c6e1a24eef6bc
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCCHHO", "totalE": -184.616862, "Ef": 0.22447661699999344}


unique_id: 342df9626fe49aebf9bbcc71c13c650c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHOCHHH", "totalE": -197.512632, "Ef": -1.3184861084999966}


unique_id: 16f47889cfc531e96b80a1488a615e02
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCCHH", "totalE": -184.941751, "Ef": -0.0005903830000022481}


unique_id: 910b70b954eb462c99863c16553b354c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHHCHHOH", "totalE": -193.052899, "Ef": -0.8655449719999808}


unique_id: a9a8673de2e74b2b3a374825d8239293
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHHCHO", "totalE": -185.197513, "Ef": -0.1963373830000137}


unique_id: b7614cc54f2b350ab128f89a2c58f969
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOCHOH", "totalE": -188.845519, "Ef": 0.07873648049996973}


unique_id: 616046c313f4f4a40b7acf78df0b7d1c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHHCHOCHHH", "totalE": -198.636601, "Ef": -2.765354266499969}


unique_id: 5002434c6e205c4cf101c81dc6942bc8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCOCHH", "totalE": -187.081002, "Ef": -2.0034903830000133}


unique_id: f9925784d054f4742eda9f8236c14ef8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHHCHOCO", "totalE": -193.563536, "Ef": -0.9497378140000023}


unique_id: 573821cdcc450efdffbd45868becee87
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHOHCHHOH", "totalE": -211.133042, "Ef": -0.3974401284999658}


unique_id: aea1bef141458e221faa7acdc3770010
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCOCHHOH", "totalE": -207.48183, "Ef": -0.2634688339999798}


unique_id: 71bd96e9057b33d21c2fa0b8d48841ac
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOCHO", "totalE": -192.384996, "Ef": 0.6363983439999572}


unique_id: f054702922a3e6a60d972053544748f7
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCOCO", "totalE": -188.092861, "Ef": 1.1571436384999458}


unique_id: 5d5e9a15fdf8c988355755bcfe6fe46a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCCHO", "totalE": -185.71783, "Ef": -0.3526772250000363}


unique_id: 2e4fb868a42541214fb7635d7ce6e71b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCHHO", "totalE": -187.419652, "Ef": 1.2135314804999666}


unique_id: 63b8b55c4d16892e9a613add0ad7677c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHHCHHOH", "totalE": -204.273539, "Ef": -1.0607846974999688}


unique_id: 4e55703511ce616ac66eef2ec82a6595
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHOCHHH", "totalE": -200.78179699999998, "Ef": -0.9833524029999978}


unique_id: e1fc6be175e0f4a7d5b7586479b13122
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCC", "totalE": -172.45468200000002, "Ef": 1.6140695004999657}


unique_id: f99c44f75a30f249c780163aebc2e4a1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCCHH", "totalE": -189.218772, "Ef": -0.651344677499992}


unique_id: cf99af115aed2b6201b09cee788aadbb
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCCHO", "totalE": -177.769464, "Ef": 0.04292520599997829}


unique_id: b7af67ddf7be656cc5e8154a372fe792
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHCHHOH", "totalE": -195.661857, "Ef": 0.22384989150000933}


unique_id: 733dd4c71bd23291af52fcecfcee691d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCCHHO", "totalE": -180.509397, "Ef": 0.6860089114999823}


unique_id: a5f2ceafcd5f309f50859700b4f601d3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHHCCO", "totalE": -182.22484, "Ef": -0.8523340885000152}


unique_id: 9c889878e9bafb0f65794f0763af8977
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHHCHH", "totalE": -197.035879, "Ef": -1.3300022664999744}


unique_id: 9d91d948c3f348a60f04f953a4492594
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHHCHO", "totalE": -200.55353799999997, "Ef": -0.8464524030000007}


unique_id: cdf85cccc32e6f68a00a4037edabb22d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOHCHO", "totalE": -188.629113, "Ef": 0.12471848049997902}


unique_id: f64c775b82fe8cd069056eee0468f585
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHHCCO", "totalE": -182.450368, "Ef": -0.937827088500029}


unique_id: a39302fe3c9ac872a59a7dd1fa7e06c9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHHCHHH", "totalE": -186.352047, "Ef": -1.6441325409999763}


unique_id: e63dfcf7facb59128248966f779773ad
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCCHHO", "totalE": -185.607302, "Ef": -0.49699838300000465}


unique_id: f690de9c8437cb7f1584f14cb639ae24
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCCOH", "totalE": -188.620969, "Ef": 0.4074534804999814}


unique_id: 352002cdb12ceee6a76992e393509790
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHHCC", "totalE": -174.970668, "Ef": -1.091920657500026}


unique_id: a12b21fa51381a52298aacec621b271c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHOCHO", "totalE": -196.450641, "Ef": 0.11524204949995465}


unique_id: 760348798aa536323bbcea8e1671535a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHOCCO", "totalE": -184.070107, "Ef": 1.0730787749999706}


unique_id: 8dd602b4340fbb139d4a96d3afbaf41a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHCHHH", "totalE": -182.90348899999998, "Ef": -1.7740212464999843}


unique_id: 3c2cdd35d64f5571ead6d3352ccdae04
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOCHHH", "totalE": -197.378764, "Ef": -1.2165971084999967}


unique_id: a7cbaebb976e7e88c67ee81c36dc660e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCCO", "totalE": -177.195662, "Ef": 0.6719862059999571}


unique_id: 588f75770500fb47d4cc5a4112215901
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCHHOH", "totalE": -192.562469, "Ef": -0.07148281400000656}


unique_id: f8363ed3d35317e2c7f9e7c6fccec5f8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHCHH", "totalE": -187.699027, "Ef": 0.9560783225000193}


unique_id: fd588b2c7a1b7a6a051d4a424d0949e0
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHCHHH", "totalE": -193.353638, "Ef": -1.104657971999984}


unique_id: b3ca9ba5401eefe0f2b0e60b1e345358
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOCHHH", "totalE": -186.44853500000002, "Ef": -1.3411423830000047}


unique_id: ad75ae9fdf906e0a119ef79120102b7d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOCHHOH", "totalE": -203.907104, "Ef": -0.2889525395000021}


unique_id: cbef50d7741ed3c6771daa104be0b1c6
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHCOOH", "totalE": -203.613958, "Ef": 0.10086146049999911}


unique_id: ad62f7cb385a03e937f259ece394568f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHOHCHHOH", "totalE": -199.903669, "Ef": -0.14285940299998856}


unique_id: 287e0e3dc86173f46c6d45017b533fa3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHHCHHCHHO", "totalE": -198.32794199999998, "Ef": -2.442988266499981}


unique_id: a766b823144639a03a949e44ebe425a6
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHHCHOCHHO", "totalE": -201.58459, "Ef": -1.7484264029999963}


unique_id: cd998b12db5030b39edceef6460da496
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCHHH", "totalE": -186.187202, "Ef": -1.1565693830000043}


unique_id: cd2956804c933569d018cb5b000c5b89
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHCHOH", "totalE": -191.669035, "Ef": 0.5214591859999871}


unique_id: 85e73cd18056cec5b82dd9769c7b5f02
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCHHH", "totalE": -186.353404, "Ef": -1.2924733829999866}


unique_id: 219a8bb3ad78e42f494f0d562101c2cc
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCCO", "totalE": -174.084799, "Ef": 0.25873750049996147}


unique_id: f1261d12503604c731f19f1dcddb3c3f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHHCOCO", "totalE": -189.58531000000002, "Ef": -0.5391915195000081}


unique_id: 14eef7fc9ef4092903582cfd769f894d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHCHOH", "totalE": -196.486789, "Ef": -0.4544061084999953}


unique_id: 4d1300528e25926cd86e29c57aaa966b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHOCHO", "totalE": -199.31929399999999, "Ef": 0.7261557549999793}


unique_id: 54f68f67bad0a5000a830c88fb18793e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCC", "totalE": -181.217954, "Ef": 0.1617939114999558}


unique_id: 98886370bfeb2cc3e0d44d62157587ca
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOHCHHO", "totalE": -202.380908, "Ef": 0.8383274605000111}


unique_id: aea8795ba99e5847c7d28cf53eff560a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCC", "totalE": -173.431918, "Ef": 0.7825335004999374}


unique_id: 6a7938c5139c3b14c7eeb79713d85b53
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCHCHHO", "totalE": -188.764374, "Ef": -0.41197167749999153}


unique_id: 8ccd22378ff0fce95429fb2d2fa0a3d9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCCOOH", "totalE": -195.71108, "Ef": 0.7007070494999823}


unique_id: 1bc6003444f01aa3d0dbd643cb0a035f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHOCHHCHHO", "totalE": -201.44244, "Ef": -1.61640840299998}


unique_id: 86a56f136b439757fc41eb183b70a949
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOCHO", "totalE": -185.352027, "Ef": 0.012793774999948937}


unique_id: 462606a77d42a0d4a54320abeaf6dd2b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCHCO", "totalE": -185.10636200000002, "Ef": 0.17309977499996876}


unique_id: b99be46d81a235bf0ed98d7d91276784
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCHCHHO", "totalE": -192.043546, "Ef": 0.24308518599997342}


unique_id: edc9866106edec8969c74ad6222f90cf
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHOCHHH", "totalE": -196.995083, "Ef": -0.7581121085000007}


unique_id: 8653c11d6a36f3188cb8cc85714d7045
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHCHO", "totalE": -181.502708, "Ef": -0.13620408850002264}


unique_id: a8da5d26de4adf43a19ca0a7ef5cea7f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHOHCHHH", "totalE": -204.454998, "Ef": -1.2595746974999713}


unique_id: d113f70607c2e16cba283161ca559e1f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHCHHO", "totalE": -195.704949, "Ef": 0.051127891500016176}


unique_id: 512cf86129c0520246bd9cb5b558d32d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCCHHO", "totalE": -191.806525, "Ef": 0.4702061859999844}


unique_id: adfe3f3c2ae8fa67d2a7fad5e5f55dfe
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHHCHOH", "totalE": -199.244898, "Ef": 0.31172359699999674}


unique_id: 1bf172520972df468a6bb50c8e961520
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCHCHHH", "totalE": -190.697798, "Ef": -2.023838677499981}


unique_id: aa77793bf14a34c1cda6b1a1d6ef64aa
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHOCCHHO", "totalE": -191.34796799999998, "Ef": 1.0834771859999819}


unique_id: 40363548e458a71cb05e1b7ba6298e8e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCCOOH", "totalE": -182.966068, "Ef": 2.3389487749999773}


unique_id: e875ce0551af3582cf3f00c45ca0f25a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOHCHH", "totalE": -196.729929, "Ef": -0.6812491084999976}


unique_id: 3c33471b7f1bb77c1556ae245656455f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOHCHOH", "totalE": -192.141267, "Ef": 0.1574801859999866}


unique_id: 9c193fd433138c76cc4c7a82d9835f8b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOCO", "totalE": -187.43579499999998, "Ef": 1.8423856384999624}


unique_id: 5b96d5cfeca373ba9e3d09b0c1cf6ab6
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCCHO", "totalE": -189.01041999999998, "Ef": -0.32837251950002155}


unique_id: 2d1a24608ebe76c375bb18d4d1514b5a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCHOH", "totalE": -188.724458, "Ef": 0.19017748049998318}


unique_id: c073519fd9cc9b2fb2c633322a599dbc
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCHOCHHH", "totalE": -194.282246, "Ef": -2.0128069719999644}


unique_id: b587c892de4841f2777b84a010904e4c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHHCOCHHH", "totalE": -194.380966, "Ef": -2.2130219719999786}


unique_id: 81269b95aa3ade29bc581886947e2015
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHOCHHO", "totalE": -198.858711, "Ef": 0.9432377549999842}


unique_id: 275fd41198e82085c4bfb05901eb76fd
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCCOH", "totalE": -177.207348, "Ef": 0.5880062059999887}


unique_id: dc0ab1bc8506aaaea55646f0eebf1af0
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHOHCHHOH", "totalE": -210.802752, "Ef": -0.2000661284999694}


unique_id: 8c56c75e0bf9ed5f315922669d5263ed
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHHC", "totalE": -189.164932, "Ef": -0.5319386774999941}


unique_id: 2c071ede61e84385298fec9d94012a71
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHOCHHCO", "totalE": -190.85345800000002, "Ef": 1.371959185999998}


unique_id: d17f5e0264cfcb73ce980446cbc09295
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHCHO", "totalE": -192.058927, "Ef": 0.4780581859999984}


unique_id: aac0dee9fc14d06d8cad9088a07a9c98
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCC", "totalE": -166.078403, "Ef": 0.6329569314999617}


unique_id: 7cab3a0676f1e9da3920b6e93bba0f46
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCCO", "totalE": -173.68452299999998, "Ef": 0.6617525004999436}


unique_id: 66a44274ed2f8f6f5b8125d426c575f8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHHHCHHO", "totalE": -205.079478, "Ef": -1.708324697499961}


unique_id: c847f44c6556bf13708c331a38ee374e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHC", "totalE": -177.487019, "Ef": 0.35473020599997085}


unique_id: 3e5a397ce709147c1ea4fcbf439e877a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCHHCHO", "totalE": -192.462123, "Ef": 0.03946318599997767}


unique_id: 9397f34e0059a8ef07a15782d7bf528d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOHCHHH", "totalE": -196.714889, "Ef": -0.6338681084999962}


unique_id: 3bc41a3875761548e1e279422949ef7c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHOCHOCHHO", "totalE": -204.33372, "Ef": -0.5033215394999786}


unique_id: 5866e04795a32e90c93d054c8f9e13f3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHOCHHH", "totalE": -205.19249399999998, "Ef": -1.8122566974999756}


unique_id: 6fede7e46189593a66ab590dfdda047b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHOHCHHOH", "totalE": -206.551024, "Ef": 0.5012371660000099}


unique_id: 3a8f89cc2139441dea3faa490ce8c48d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCCHHO", "totalE": -188.144757, "Ef": 0.649613480499994}


unique_id: 5700f1d5d86b504ae5014135ef1e9e51
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHOCO", "totalE": -189.887713, "Ef": 3.041136343999966}


unique_id: 236f4c38cb430789794ca4b92c2ea8ef
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHCHHH", "totalE": -193.959532, "Ef": -1.8529379719999781}


unique_id: ea63260d9587c748c7d5bee7b52d0648
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHOCHO", "totalE": -195.58757, "Ef": 0.9761750494999717}


unique_id: 259c6e0a62084f2b8f055ddfd7e8910b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHCHH", "totalE": -178.379851, "Ef": -0.8469119519999992}


unique_id: 2e0665b262cbd6b8a94ce4015a580352
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOCHOH", "totalE": -200.01825, "Ef": 0.0605147549999856}


unique_id: 68d41766753d5f9512a463377fcb7aec
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHHCHHOH", "totalE": -203.941187, "Ef": -0.7787056974999587}


unique_id: 20bae2ccc3ced3a273ddfcdcd7e8ac9f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOCHH", "totalE": -193.57248700000002, "Ef": -1.0393628140000146}


unique_id: a0b6a64dcdabef0f2a57092b57758a9a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOCHHH", "totalE": -193.175367, "Ef": -0.7050668140000198}


unique_id: a46055a38036397eef5944f6e03b93ae
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHCOH", "totalE": -187.257038, "Ef": 1.6521734804999824}


unique_id: e8ffb77d4c348ae66e44e9cb8d91a819
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHHCHHC", "totalE": -182.739899, "Ef": -1.5971942464999813}


unique_id: 9dd225bc04f98aee045e834d8959bd9b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCCHO", "totalE": -178.150839, "Ef": -0.2153907940000579}


unique_id: b62df2b66fef70f7fa5090c22e55b9a8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHCHHOH", "totalE": -204.181193, "Ef": -1.0360036974999787}


unique_id: 988200e11a2e25482356770dd0a804c2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCC", "totalE": -170.716586, "Ef": -0.346208363000045}


unique_id: 7ed40c4bfaca83066da16d2ec0c9c911
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOCHHOH", "totalE": -193.245844, "Ef": -0.74394181400001}


unique_id: 3a12514d9c32bf86cae186977350ffba
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCOCHHH", "totalE": -190.853032, "Ef": -2.1885226775000035}


unique_id: b4edf1db39215c1c34944702da350928
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHCOH", "totalE": -191.711603, "Ef": 0.8485591859999886}


unique_id: 547f47c0af99e62477aa163a959f60a3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCHHCHH", "totalE": -185.05186, "Ef": -0.3468855409999776}


unique_id: 6f684f2fe527a3d3ba25d91b9664e91c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHOCHHH", "totalE": -200.895841, "Ef": -1.1297584029999825}


unique_id: 829d7d11e085eea1b57a8a1649552dea
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCCHO", "totalE": -181.593587, "Ef": -0.15258708850001312}


unique_id: d6e9cface58bdd7cb4599e624448de6f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOHCHHH", "totalE": -200.861326, "Ef": -1.2016184029999977}


unique_id: 2f6507329586c7955bad4839490e6228
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCCHHH", "totalE": -189.785776, "Ef": -1.2284706774999847}


unique_id: 4adbddca43f626d46ee46f25ccb46ba2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHCO", "totalE": -189.314681, "Ef": -0.24972651950002955}


unique_id: 8a3508585ba38ae72710f1681fe8b394
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHOCHOH", "totalE": -202.52795700000001, "Ef": 1.0346774605000064}


unique_id: c5bd8608d9ab5f06e35b8780a420e64e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCHHCHHH", "totalE": -190.746014, "Ef": -2.4691538354999523}


unique_id: 93a8cc4106465c3a93b43547ce43b1aa
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHHCHCO", "totalE": -185.224095, "Ef": -0.22085238299999332}


unique_id: 2c5445f4d6aec5485a056acac1e03f98
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCC", "totalE": -177.252721, "Ef": 0.5179362059999448}


unique_id: aed6c559bcd074d25a3209813b640280
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCCO", "totalE": -184.535225, "Ef": 0.6452997749999554}


unique_id: 8dbcd77862dc672cffd7d9452d2e981f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHCHHH", "totalE": -189.804407, "Ef": -1.1393046775000073}


unique_id: f91c31dd5defd22c2995ac10d3b97ca1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOCHO", "totalE": -195.344997, "Ef": 1.0678870494999728}


unique_id: 1bbd5a9fafde456a3ffc06ed6fdbd604
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCHCO", "totalE": -184.114729, "Ef": 1.2901367749999508}


unique_id: 8bd9ec4a7dc7471ee3ac5f98683ea18b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHOCHHO", "totalE": -208.08218200000002, "Ef": -0.7490168339999741}


unique_id: 221692165da6b0085e7f9fffa211eca8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOCHHO", "totalE": -187.107002, "Ef": 1.5330604804999837}


unique_id: 851162347f90a3f23dc75ffa578e5507
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHHOCHHO", "totalE": -208.165788, "Ef": -0.8145388339999897}


unique_id: 8c3a783b13fad30695ab1e8b7620fa5f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCHO", "totalE": -185.043138, "Ef": 0.3701067749999538}


unique_id: c699cfd41b6f464c2437421a3244782a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOHCHO", "totalE": -195.704083, "Ef": 0.7013260494999827}


unique_id: 69b0532d2f7012cd4e76277f2576547b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOHCHOH", "totalE": -198.914982, "Ef": 1.2650347549999879}


unique_id: ffc7a19cf821ce32a3eaba1c684bd1b5
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCCO", "totalE": -176.756003, "Ef": 1.1503782059999708}


unique_id: 382edc801ef6ef65e2e0b714b558af44
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHOHCHO", "totalE": -202.944266, "Ef": 0.7286444604999929}


unique_id: 2a6ba61e89f7a099970c8bb26538b384
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCCHHO", "totalE": -181.92136200000002, "Ef": -0.4212410885000111}


unique_id: 80902bbc0cbc5ee3d7e018a333690f9e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHOCHHOH", "totalE": -203.370691, "Ef": 0.21563146050002047}


unique_id: a093c85145ebbfac1dd5e9baf9763ac1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHOCHHOH", "totalE": -207.332748, "Ef": -0.09217883399998072}


unique_id: 65aa29b03143c684373ff88b5230070d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHHCHHCO", "totalE": -190.106331, "Ef": -1.4075006774999963}


unique_id: ee2fa2aa9c5f947e1415d34e8d5a0708
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCOCHHO", "totalE": -203.830421, "Ef": -0.13319653950000543}


unique_id: b075adc84d86a13568d128f599d7a918
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCCHHH", "totalE": -179.047992, "Ef": -1.5101039520000086}


unique_id: c97009a9821bf267e49de0a25e32f97e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHCOH", "totalE": -196.246488, "Ef": -0.18512010850000138}


unique_id: fd5fa76333fc247821416ba743f0e4d2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHOCHOH", "totalE": -197.761238, "Ef": 2.1970217550000086}


unique_id: a8e2aea690dc172815f1ceeb0c4e37b0
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOCO", "totalE": -187.459687, "Ef": 1.857912638499954}


unique_id: 8d4d47e6e3e18129cfccf93ba4496a4e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCOCHHO", "totalE": -195.080534, "Ef": 1.1645130494999876}


unique_id: b4a1f8d4c2d9565b7eb044819bb7b95e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHCH", "totalE": -171.938682, "Ef": 1.9224203424999757}


unique_id: f42b4418ed2bf2768faac07ebb84f813
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCOOH", "totalE": -190.528795, "Ef": 2.2989153439999654}


unique_id: f644c025645ae6f0cee548737971e815
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHCHHOH", "totalE": -200.429662, "Ef": -0.8863764029999857}


unique_id: 985708ab66c6762fb3dac08ff18d2c2a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOCHHO", "totalE": -187.479763, "Ef": 1.0860164804999783}


unique_id: dbefde9bbda9da42a6629e887ca66eda
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHHCCHHO", "totalE": -188.192221, "Ef": 0.2854873224999892}


unique_id: 2578bedc3a0237f9c0325510f096b31b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHOHCHO", "totalE": -207.250507, "Ef": -0.061612833999987515}


unique_id: b43d5b731712a1ec67b8c28585c19e99
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHOHCHO", "totalE": -198.70393700000002, "Ef": 1.3818407549999847}


unique_id: 9d11727f5b92fdab6e9f9147ea291a89
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHHCHHH", "totalE": -197.805793, "Ef": -2.0678472664999674}


unique_id: a8a9d3dbe6bb8c536971a27fc54b7421
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHC", "totalE": -181.816151, "Ef": -0.3184830885000167}


unique_id: 2f9abc4c0f229d8ca2684c60a0efd237
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHCHHOH", "totalE": -189.24063, "Ef": -0.6755116774999976}


unique_id: 5e8f291ac3d5fc65eea9bfbfd708a42f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOCHH", "totalE": -181.974496, "Ef": -0.4898250885000266}


unique_id: 5750e197aa86b4f9a031b3274a25b74c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHOCHHH", "totalE": -189.267643, "Ef": -0.5881566774999953}


unique_id: e4dcf695cdac5fa1f5b29638c2984788
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCCO", "totalE": -184.155598, "Ef": 1.2360047749999694}


unique_id: 936868413dbf04b0e91b3a4b0850a1d7
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHOHCHHO", "totalE": -211.847513, "Ef": -0.9321101284999429}


unique_id: d5d1a68bf2993f799473de53aeb0e9de
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOCHHOH", "totalE": -199.593854, "Ef": 0.3881257549999759}


unique_id: a5792d16c4f3e9c86ba5eb3e1c01f23e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHCO", "totalE": -184.096441, "Ef": 1.1576417749999734}


unique_id: 945801ee8dfa128ed258133718282606
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHCO", "totalE": -192.86896000000002, "Ef": -0.2999818140000059}


unique_id: 479b5b4c62acb68bfd78cdc656f4e00b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCHCO", "totalE": -182.010873, "Ef": -0.4803800885000271}


unique_id: e4b47789a171e1852736e52024fbd42a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHOCHHOH", "totalE": -203.880128, "Ef": -0.257737539499999}


unique_id: 9a940096a1886bdf0826fbb1500651b7
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCHHC", "totalE": -176.886645, "Ef": 0.6277920480000034}


unique_id: 1e710d8d771ca1caeedd279b22f8c137
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCOCO", "totalE": -195.979132, "Ef": 0.5392970494999645}


unique_id: 1e3f843e39768f99243914d8f63645a8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHCOH", "totalE": -178.909806, "Ef": 2.400464911499995}


unique_id: ea069b09c756027388fee3b91527a94e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCCHHOH", "totalE": -196.069679, "Ef": 0.011688891500000409}


unique_id: c420ebeca46e2603751ce6d79354cf25
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHCHHOH", "totalE": -198.725165, "Ef": 0.7340395970000202}


unique_id: c90654645a59211c3a843a03ecd49a50
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHOCHHO", "totalE": -201.97496999999998, "Ef": 1.457054460500018}


unique_id: 79bd32939325daf7e451e220acd18d38
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCCO", "totalE": -188.774193, "Ef": 0.09630248049998613}


unique_id: 7a181ccd11332acaac55cc00ab4f88ee
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHCHHO", "totalE": -200.492647, "Ef": -0.8082044029999906}


unique_id: 7baa64de9e51f2f8745edb5e883579dd
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOCHHH", "totalE": -197.01068999999998, "Ef": -0.84450410849999}


unique_id: 49fde137b469a20339158e732484855b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHHCHHH", "totalE": -197.745913, "Ef": -1.9514872664999814}


unique_id: 26af900f73c8eb794aae51c053a37447
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHCOH", "totalE": -189.60798400000002, "Ef": 2.734747185999993}


unique_id: f4280fb5b030b65dc1689d1b3888ccc2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCHHCHHH", "totalE": -193.930467, "Ef": -1.723433971999981}


unique_id: cd6f0e3ccf0350217ddaa6ac0a7fac03
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCOCHO", "totalE": -192.630021, "Ef": 0.3481323439999642}


unique_id: ac43f1c6276c0fdb6cf9cddc55cded39
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOHCHOH", "totalE": -203.319775, "Ef": 0.3261864604999971}


unique_id: 4e95f01a4257d8a64c0d6b6a46c55418
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHCHHO", "totalE": -183.749033, "Ef": 0.8341276169999787}


unique_id: e678abd5337a1531055735b2ceb1a2ae
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHHCHO", "totalE": -196.296705, "Ef": -0.12831710849999922}


unique_id: f7f1768af7f23a64cc1c68dfc24e2773
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCHH", "totalE": -181.589045, "Ef": -0.21935308850004276}


unique_id: 9ec31333274b0d0a868c3df7ec071b2f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHCO", "totalE": -175.79161399999998, "Ef": 2.08481320599995}


unique_id: 59ad5c1d0dc1a497048311639221223f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHCO", "totalE": -186.89035800000002, "Ef": 1.9555264804999695}


unique_id: 477fb0e77698163f7a1ab083176f53ff
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHHCHH", "totalE": -180.457581, "Ef": 0.6521937535000006}


unique_id: febb29d1cb36c82d26b5120f607c2669
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCCHH", "totalE": -174.91110600000002, "Ef": -1.0003046575000383}


unique_id: 8497321dc214f1298e54f40600917f67
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOCOH", "totalE": -189.968297, "Ef": 2.7596743439999614}


unique_id: ff66c261af60fccd5c88580778be6f1a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCOH", "totalE": -184.498007, "Ef": 0.8670467749999773}


unique_id: 840af4e5146a8b42be76296ef612eb9e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHCHHH", "totalE": -194.209193, "Ef": -2.0503529719999847}


unique_id: 740aa5a5486ef2ff9af2519ce8b57f6f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHHCHHH", "totalE": -197.49663, "Ef": -1.7558752664999702}


unique_id: 5273ef3d86ce7ba86bae93714bc60513
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCCHHOH", "totalE": -185.52734099999998, "Ef": -0.5351463830000114}


unique_id: a97d103c8fab4c026ff08d60218c8822
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCHHOH", "totalE": -192.825943, "Ef": -0.23502381400001582}


unique_id: dab9181a343e700ea5bc0d1afe7d5ee9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOCHH", "totalE": -188.65812, "Ef": 0.20223248049998688}


unique_id: f510efc7b2a5ccbf85163d15ca36d083
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCCHHO", "totalE": -196.090623, "Ef": -0.1231101085000148}


unique_id: 634e07cc41873f713f80cacb0589d365
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHCHH", "totalE": -185.371034, "Ef": -0.30158238300001017}


unique_id: 4c09cd37b5db1a02ab0efedff2981cad
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHOCOCO", "totalE": -190.356316, "Ef": 2.3357203439999523}


unique_id: 478818e43e94405295f21d1ff293594a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCHCHHH", "totalE": -187.200771, "Ef": -2.530639540999971}


unique_id: 9cece40bdb34bc9c44318a7203e40189
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHOCOH", "totalE": -193.26828600000002, "Ef": 3.0402600494999774}


unique_id: 71f2d808983b2f35814204b09e8d8b5c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOCHOH", "totalE": -195.92928799999999, "Ef": 0.6696570494999889}


unique_id: d3a6a0320587b015358050ab345d8239
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHHHCHHO", "totalE": -192.572312, "Ef": -0.5738309719999677}


unique_id: 7f6b73cb65b1967ce365514f4f24e77c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCHHCO", "totalE": -188.611184, "Ef": 0.2893324804999793}


unique_id: f28e14dece3ac6b27a86aebc84a51383
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOCHO", "totalE": -196.25474, "Ef": 0.22693504949998555}


unique_id: 9ce35f120a67793a65accffd6613dd92
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCHOCHHH", "totalE": -197.113146, "Ef": -0.898648108499998}


unique_id: f49f0f6faf94190d437033f72037ec2b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOCO", "totalE": -192.46498300000002, "Ef": 0.5833153439999705}


unique_id: f1618d8dcb5efab2303f0ccb90d876eb
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHOCHH", "totalE": -200.841218, "Ef": -1.061125402999977}


unique_id: cf669a36da8e04975e8ffd75245f6691
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHOCHCO", "totalE": -187.89998899999998, "Ef": 1.1746994804999815}


unique_id: e537abc1e9212b12b28f6f2d676663b5
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "OCCCO", "totalE": -177.59739299999998, "Ef": 0.6310873639999386}


unique_id: f7f11b9ada2110fea2879dc15add9fc3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCCO", "totalE": -188.778628, "Ef": 0.1563284804999796}


unique_id: db8b97f3a734fd70a2c600e2fe3051c5
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCO", "totalE": -180.421348, "Ef": 1.4556550694999544}


unique_id: b2afde2e9440d5463d8b10589a52135f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHHCCHHH", "totalE": -186.35263999999998, "Ef": -1.6598855409999658}


unique_id: bfd68c0eeb96f577b2d8c7dc995b094a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCHC", "totalE": -174.731762, "Ef": -0.7815996575000383}


unique_id: 6d45d35a7f8c84eddb1e3b809844a21f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHC", "totalE": -170.690691, "Ef": -0.34136536300005105}


unique_id: 5556bd759948207a92de0d65f79b68e2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCHOCO", "totalE": -192.080385, "Ef": 0.8129903439999566}


unique_id: 20dbe8f287305678f879c4482f90e0e2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHOCHHOH", "totalE": -207.196733, "Ef": 0.04499916599999665}


unique_id: fbc15dc44317232730b13d55d684b62d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCHCHH", "totalE": -183.357179, "Ef": -2.256827246499995}


unique_id: ced7dc980d1b380ec0e2d19dad494e35
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCCH", "totalE": -170.81865, "Ef": -0.4829673630000286}


unique_id: 75c54422f5b887c63d0e0e2e92eee45a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCOCHHH", "totalE": -200.718267, "Ef": -1.1455004029999998}


unique_id: 625ce4620f4aa22a80db9b5608a40720
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOCHH", "totalE": -188.929632, "Ef": 0.13476348049999842}


unique_id: 9e62e79f9703913884d6a4a8fcc54395
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHHCHOH", "totalE": -187.758884, "Ef": 0.5906133224999905}


unique_id: 94040c9add049be5c8c9333fe4789e17
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHOCHHOH", "totalE": -211.861173, "Ef": -1.010433128499983}


unique_id: 3356dc857937a074346b858ac5546b36
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOHCHH", "totalE": -192.27251, "Ef": 0.16004318599999579}


unique_id: 1f8fbe4f972d5dd07d58c34f559c2c1b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHC", "totalE": -185.572068, "Ef": -0.5284223830000201}


unique_id: 5419581e97e31d1df9a732dfca958634
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHCHO", "totalE": -193.381629, "Ef": -0.7894818139999984}


unique_id: 7ab92bee4e19c59a8df2e28fb9d68be8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOHCHHOH", "totalE": -207.268834, "Ef": -0.12796483399998237}


unique_id: 99dcef805124df128ce9ae975041b0ec
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCCO", "totalE": -181.41616100000002, "Ef": 0.36770506949994797}


unique_id: b12043bedc7ea837e0bdcd7fa5e75357
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOCHHH", "totalE": -186.88243500000002, "Ef": -1.7916393830000175}


unique_id: d506466ee0e5ff9b1d861b73dc468fca
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "OCCOCO", "totalE": -184.11386299999998, "Ef": 1.7558139329999278}


unique_id: 5b51b946dfdcae35bf4ba86626335151
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHOCO", "totalE": -200.086829, "Ef": 0.06920775499997944}


unique_id: a693f0fbbf874e79b1789a666a830158
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCOCHO", "totalE": -189.559824, "Ef": -0.5349655195000196}


unique_id: d73f7418cabe8eedfcaca63744c439fa
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCHHCO", "totalE": -184.35861699999998, "Ef": 0.7393256169999916}


unique_id: b83a348ac3973fa562f2284697fc7244
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCHHC", "totalE": -181.570068, "Ef": -0.12499108850002472}


unique_id: 28ce2382f9fabf6fbf6134f94bc8be01
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOCHHOH", "totalE": -199.801525, "Ef": 0.2209527549999848}


unique_id: ed7db43579638d342aa784ac96076aba
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCCO", "totalE": -180.99223899999998, "Ef": 0.7450700694999739}


unique_id: cb4500718fc1a5de792651f9e292b036
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHOHCHO", "totalE": -192.206155, "Ef": 0.13650818599998615}


unique_id: 582eff8d9e1636f3eab0c52b4f36e2db
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHOHCHOH", "totalE": -205.340744, "Ef": 1.5982331660000284}


unique_id: e0250c736cb6f44e0be36d231a03a576
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCHCHO", "totalE": -186.296882, "Ef": -1.2545133830000168}


unique_id: b8360971162a75dfe023c79251a8033b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCCHHOH", "totalE": -199.573403, "Ef": -0.06044540299998857}


unique_id: c870f8d074e2b6a139590d4a15e430d3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOHCHHOH", "totalE": -202.86101100000002, "Ef": 0.7093604604999939}


unique_id: 16d735ade847ae9766ba5c524ed1703b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCOCCHHH", "totalE": -185.914315, "Ef": -0.9698443830000087}


unique_id: 41a4b490b33045288654ddac5bf99177
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCHOCHO", "totalE": -203.46018700000002, "Ef": 0.19083946050000122}


unique_id: 93b170d935470d479c53291c1b91c178
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOHCHO", "totalE": -199.835508, "Ef": 0.16766675499999906}


unique_id: a8a9aab9a8f53ca361accf98604a43d7
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHHCOCHO", "totalE": -200.331182, "Ef": -0.27153324500000053}


unique_id: f491c287bdb69c3ad0fa0db14fecf5a7
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCOCHHO", "totalE": -198.996758, "Ef": 0.8237127550000025}


unique_id: 66d25684312df2b83c3c8762b320c9fd
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOCO", "totalE": -181.145465, "Ef": 0.7599570694999613}


unique_id: 346e0bae998f78bebc5b12b3f8149976
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCCHHO", "totalE": -189.141085, "Ef": -0.15503451950002045}


unique_id: 3ad7b39817124dffb2eec9453498c9a3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHHCHHO", "totalE": -187.089617, "Ef": 1.2361253225000155}


unique_id: 8b17831e94b56f02bcf9d75cce5e1ae3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCHCCHHH", "totalE": -182.805339, "Ef": -1.696837246499996}


unique_id: 686ccb0bd3da17171b1641c8f3b81f62
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHCHO", "totalE": -192.951471, "Ef": -0.5677478140000289}


unique_id: 3f4b94041a8856cc9f53a95f9c3ba789
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCCHHH", "totalE": -179.103396, "Ef": -1.5503449520000174}


unique_id: e3926c4583b5d4b94ec9fd4264650283
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOCHO", "totalE": -191.772642, "Ef": 0.9532063439999376}


unique_id: cab59b005347852a7f70ef892b12c9aa
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHCHOH", "totalE": -194.970443, "Ef": 1.0898498914999948}


unique_id: 70ebd7eeb27c32f18fd44a7687ece2ce
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCHHHCHHO", "totalE": -199.330283, "Ef": 0.16366459700003588}


unique_id: f30c407223a28c7816f99c47c28f7369
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCOHCHHO", "totalE": -190.962922, "Ef": 0.972854185999978}


unique_id: 4223276c4b45c7d07dbf8a4ef5b78499
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HCCHHHCHHH", "totalE": -190.800413, "Ef": -2.5225748354999666}


unique_id: 4bc6ec7cd76f46a4a64395193117f805
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCHCHCHH", "totalE": -190.024527, "Ef": -1.4846316775000048}


unique_id: 1bf93721a6ca741c931a804f01135287
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu100", "system": "C3", "formula": "HOCCOCHHO", "totalE": -193.922718, "Ef": 2.1863000494999767}


unique_id: 7f9aa67f97eaa115681b3baebefe657b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCH", "totalE": -156.769869, "Ef": 0.37973315300001786}


unique_id: a5f290a753daa90bd35318e9890d1e78
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCHO", "totalE": -163.991182, "Ef": 0.6741427220000276}


unique_id: 2605594979347a4a0611e751a2193afb
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCHHCO", "totalE": -183.66751399999998, "Ef": 0.5908577385000342}


unique_id: a0e1ac6a9cbc48b56bf8a5bbc13f1ec6
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCCHHOH", "totalE": -179.876278, "Ef": 0.3554388750000328}


unique_id: c55b3ad3e4047ad344b0881ef1870ed5
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCCHO", "totalE": -172.526988, "Ef": 0.5430594640000095}


unique_id: 1cafcf5d42987809fb622149220842ee
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCCHHH", "totalE": -180.489304, "Ef": -0.12246512499996243}


unique_id: 601e88dd11730fd44947e53cb4924c65
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCHC", "totalE": -172.732454, "Ef": 0.4351994640000214}


unique_id: 6635904eea545542cd55ce4e98239e53
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "CC", "totalE": -157.313622, "Ef": 1.1702894839999658}


unique_id: 5fa8a1cb1ddf337ec355f157bb09139f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCOCHHH", "totalE": -181.10466, "Ef": -0.7711791249999749}


unique_id: 22a2f30498bcc27984d4a627dd547041
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCCHH", "totalE": -176.597324, "Ef": 0.1879491695000013}


unique_id: b51b3f2dfa6a9395cd203ff11e16228b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "OCCO", "totalE": -171.44976599999998, "Ef": 2.1730736219999756}


unique_id: ebf51caaea313cf5840585889fd12dbe
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCHC", "totalE": -165.632596, "Ef": 0.039823895000012044}


unique_id: aa62dabbdd80a13c434b19942f5aaa7a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCCH", "totalE": -166.078598, "Ef": -0.4076611049999883}


unique_id: da95dcba052488443c07f5178503ba1d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCHCHO", "totalE": -183.91369699999998, "Ef": 0.39886473850000925}


unique_id: b03c98908e9b9cdafcbe606eb74e4a83
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCHCHH", "totalE": -174.090598, "Ef": -1.2729326939999623}


unique_id: 493d8f6db96bdcac9b3b1cf4f652c5c5
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCHHCHH", "totalE": -184.375852, "Ef": -0.5304654194999614}


unique_id: 8895a792ba038888297db107cf29223e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HO", "totalE": -152.266317, "Ef": 0.23503927450002493}


unique_id: b3f47692ea6e03725be2d80354b75df6
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCCHOH", "totalE": -176.780046, "Ef": -0.14928583049999133}


unique_id: df6b2b5825c033758f14e65f9f9bd90e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HC", "totalE": -152.633347, "Ef": 0.9460214475000157}


unique_id: 5981273d50de7c10b087e059628b64e7
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCHHCHO", "totalE": -187.346913, "Ef": 0.44540244400002393}


unique_id: 8087dd383a765458ec7b7827a406136d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "CCO", "totalE": -165.53526399999998, "Ef": 0.522720052999972}


unique_id: 2cd897af4a782e2b5e4624b88559c783
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "C", "totalE": -147.82873700000002, "Ef": 2.138255741999984}


unique_id: 5164ad691e71e9621f1b6a01b3f863a1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCOCO", "totalE": -175.597864, "Ef": 1.5327423274999887}


unique_id: 54b12d4cfae5e313cb90aaa0fabf9599
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCO", "totalE": -160.07808500000002, "Ef": 1.0341430165000247}


unique_id: c9033f1d6d5b4b7b2b165b83d33ee2e1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCCOH", "totalE": -179.585414, "Ef": 1.0688710329999935}


unique_id: 1374c9c337728ca3666585789165084f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCHCHHH", "totalE": -177.87088400000002, "Ef": -1.4435799884999483}


unique_id: 2e451a61a4ab8bec4710d1a89f859f75
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCHCO", "totalE": -171.364436, "Ef": 1.8483614639999928}


unique_id: ee3b0b8aed073b59f8353e56aa2faa49
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCHCHHO", "totalE": -178.981105, "Ef": 1.0963878750000333}


unique_id: b517ce4f299a5601e4f97a54ea25561a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCCHO", "totalE": -179.43333700000002, "Ef": 1.2811450330000014}


unique_id: d411d8e1decc89f1f26f4cba97a34602
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCHHCHHO", "totalE": -191.875305, "Ef": -0.3542658504999565}


unique_id: 65ca5a383b7d4eaf6af69c5230edbb4c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCHH", "totalE": -167.716786, "Ef": 0.43119842750002135}


unique_id: 1e98d3570b7498fb39faf41fc481de9b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCHHO", "totalE": -168.448701, "Ef": -0.1372115724999503}


unique_id: 6f89e244e2bf74330ee89a64accb5498
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCCHOH", "totalE": -183.47883000000002, "Ef": 0.7510597385000324}


unique_id: 4b9787715f6a1be6e89f36a5f1ec0262
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCHCO", "totalE": -179.611309, "Ef": 1.1123030329999892}


unique_id: 966094fc6648859c9c7b2e2ab8649696
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCCHHH", "totalE": -173.376366, "Ef": -0.5330006939999805}


unique_id: d4983f8445b25f982e752a50a543047c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCOCHO", "totalE": -179.72643, "Ef": 0.9710300330000052}


unique_id: 9256c325f19465eb5e5c0417476ecb12
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCCHH", "totalE": -169.741059, "Ef": -0.48510339949999093}


unique_id: 88aa06e094e173f112dcdfc7935e122f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCHCHH", "totalE": -180.97500300000002, "Ef": -0.7183811249999508}


unique_id: 96a0fdd91ac8be8f4ed8735c03df7971
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "O", "totalE": -147.86520900000002, "Ef": 1.0977115690000119}


unique_id: 5e3790595eaa3f072cd447bfec12f982
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOC", "totalE": -159.696058, "Ef": 1.2125330165000037}


unique_id: cb49159e6fc2f147649cae17bf2feb34
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCHHCHHO", "totalE": -185.17416, "Ef": -1.2991434194999556}


unique_id: 54b2dcd4be9aca2e77fd64b2ab69832f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCHCO", "totalE": -172.800306, "Ef": 0.4369434639999952}


unique_id: 3d5433d6b3cc9c0fe0000a9fdb4e74e4
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCHCHO", "totalE": -177.259427, "Ef": -0.4535738304999768}


unique_id: aadb1e741fc88b8aa1bfeb3ff4b6d62e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCC", "totalE": -168.353317, "Ef": 1.0931037584999785}


unique_id: 73abb8c4bf69f65459ce4b5df50ff722
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCC", "totalE": -161.616229, "Ef": 0.4392431894999902}


unique_id: 522ee21bb9acbb9af1a891ee6b74f885
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCHOCHHO", "totalE": -187.940658, "Ef": 0.060316444000022784}


unique_id: 81824605369be79ea05f5f18b3a119e1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCHCHHH", "totalE": -184.426472, "Ef": -0.5240434194999466}


unique_id: 1cc0bdbc6f7f8eff8ae8b627b6fba9e4
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCHH", "totalE": -161.395064, "Ef": -0.6753901414999746}


unique_id: 42aaa458b7bac17be4c3b993467e254d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCCOH", "totalE": -172.78128999999998, "Ef": 0.30346046400001114}


unique_id: f520da5377331a54ed0c8abac2242b71
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCHHCO", "totalE": -177.202742, "Ef": -0.38984183049998933}


unique_id: 9987f2b71815eec18c64ce1b398d1095
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCHCHOH", "totalE": -187.68811000000002, "Ef": 0.10084844400000748}


unique_id: 3a631227191b534f6413f175c78e0097
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "CO", "totalE": -157.26953, "Ef": 0.29893831099997215}


unique_id: 1181074f3f4bcc08a567ebe23736a6e6
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCOH", "totalE": -163.565753, "Ef": 1.0743307220000418}


unique_id: 575fc89da69efaf7481647e02b721762
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCCHHO", "totalE": -181.94831200000002, "Ef": 2.0395677385000113}


unique_id: 130e929c4070ae8a52ee0b72584ea815
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCHHC", "totalE": -176.03667099999998, "Ef": 0.7198741695000024}


unique_id: 4c5932996a744855e713b1485c29970c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCCO", "totalE": -169.417209, "Ef": 0.2345897584999932}


unique_id: f7535a4a56de39b9938ce06e4d40b007
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCHHC", "totalE": -169.522005, "Ef": -0.24688139949998344}


unique_id: 514c765d08afda0f06cc925905cff97a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCCHHOH", "totalE": -186.881832, "Ef": 0.948583444000036}


unique_id: 273141c9f3ff095b3d01231e9c5870e1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HCCO", "totalE": -168.52358700000002, "Ef": 1.1074097584999834}


unique_id: a735c178d6fe56d03f3ed6dbb05247c5
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCCO", "totalE": -175.499869, "Ef": 1.5946963274999746}


unique_id: cce7e7d9dd7d622d055953a0b7d2bf12
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HOCHCHHOH", "totalE": -190.98826100000002, "Ef": 0.33934714950004263}


unique_id: cc36b394ad667b51cc29a1d959335cc5
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C2", "formula": "HH", "totalE": -145.12508, "Ef": -0.07802129449999029}


unique_id: 41028a3323426820044142532a208a0d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHHCHHO", "totalE": -208.561015, "Ef": -1.3159416974999374}


unique_id: e965b0f2f08400e9fb1f41d6ad147c65
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCCHOH", "totalE": -185.129528, "Ef": 0.06674291150000045}


unique_id: ba975d5db10c391398b159c021effc19
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHOHCHHH", "totalE": -203.76802, "Ef": -0.20834240299996054}


unique_id: 6c8b4faf187936eafb056185d43b1ce9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHCHOH", "totalE": -188.961942, "Ef": -0.18502838300000235}


unique_id: 87626d88aab6fd6451c9b69ecdb2e859
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCHCHO", "totalE": -193.03494799999999, "Ef": -0.14196351950002395}


unique_id: 55b67369b0ec07b50a3da54ea2ee447b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHOCC", "totalE": -179.202637, "Ef": 2.2138152059999925}


unique_id: 7875cb51a2326b00224ec957605dfaa3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHCHH", "totalE": -197.328007, "Ef": -1.3798849719999566}


unique_id: 16e671ca50ea079d347782982c340b95
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOCO", "totalE": -194.076322, "Ef": 2.7048783439999795}


unique_id: e4323e124b7d65afbbfe4b80b9128676
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHCOH", "totalE": -190.177075, "Ef": 2.6112704804999964}


unique_id: d47f09c8ef909c256523e5aac6318bb6
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCO", "totalE": -183.183411, "Ef": 2.1958010694999643}


unique_id: 425325207090bc8b1b67196c0b53a4bc
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCHO", "totalE": -188.565158, "Ef": 0.7432027749999861}


unique_id: 18b5cde1b182b22cb3e4ccd396afecc2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHOCHO", "totalE": -202.785624, "Ef": 1.25717975500001}


unique_id: 2042c0abb3c65454a9e4ca4d045c2202
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHCHH", "totalE": -193.715196, "Ef": -1.3304316774999734}


unique_id: 2e342382a5f8ed64ac7ea599e7d86b42
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCCHO", "totalE": -181.62065800000002, "Ef": 0.06634120600000415}


unique_id: 916556bcea5aa91118ed1f647068eb85
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "CCCO", "totalE": -173.457309, "Ef": 1.1904757949999691}


unique_id: 6796de00653ce27f900a64439f9a3328
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCCHH", "totalE": -182.20414399999999, "Ef": -0.8308399519999909}


unique_id: 1f4e263882e68ad95e9569e70719e1e7
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHHCOH", "totalE": -185.16388, "Ef": 3.6013566170000217}


unique_id: 58d946d741d58f804e78dc720ed86da3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHC", "totalE": -182.63714, "Ef": 2.4257899115000043}


unique_id: 3a4119fd9b7c798f4b0f10644fadaab2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHCHHO", "totalE": -198.998542, "Ef": 0.6306198915000323}


unique_id: 68d7bcc834c98f56dce37cf102fdbfff
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCCHHH", "totalE": -196.395493, "Ef": -0.44136297199995056}


unique_id: 9c0a2935ceb810abcbaf745ab8c977c1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOHCHH", "totalE": -188.961467, "Ef": -0.22446638299999222}


unique_id: 58f473a93c26c6eb1b838f357ac08bdf
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHCHHH", "totalE": -200.955896, "Ef": -1.393136266499937}


unique_id: 12d9a24ae40c87a6eb1dd9296b5472b3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCOCO", "totalE": -188.615674, "Ef": 0.7476467749999927}


unique_id: e37a1431e66456a9304305b5149cd04d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "CCOCO", "totalE": -179.55289, "Ef": 2.5092183639999632}


unique_id: a7291352b94c0fb4f5a1d909ae860d53
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHOCCO", "totalE": -187.779083, "Ef": 1.4459657749999906}


unique_id: 59c44847bb7fc716472e087f925e86cf
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHHCH", "totalE": -178.224705, "Ef": 3.023274048000019}


unique_id: b7d397a104344aae6ed303819b3f0300
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOHCHHH", "totalE": -193.68765, "Ef": -1.24698667749999}


unique_id: cd46a9d5f48ef5edef3c55df513dafc8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHOHCHH", "totalE": -207.775479, "Ef": -0.7119756974999518}


unique_id: 3223968512cd7a6562a63a253f6d32b1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHCHO", "totalE": -196.71553, "Ef": -0.37620381400000724}


unique_id: 73f021e98c0b49e6230145ecc1dccb1f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOHCHHOH", "totalE": -200.180975, "Ef": -0.21025410849998138}


unique_id: e6e9182278f816ce27c7d561f63c0850
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOCOH", "totalE": -185.779821, "Ef": 3.424978774999971}


unique_id: cd3a85b1156364f77c517d9899a5f572
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCO", "totalE": -184.557201, "Ef": 1.1038480694999748}


unique_id: 7d667d58815f3bd11e50f60698759fbb
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHCHHOH", "totalE": -204.263523, "Ef": -0.8694574029999558}


unique_id: b7ff5b469054f2d0ae184757e1391fdf
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCOCHH", "totalE": -200.74463799999998, "Ef": -0.7704841084999714}


unique_id: ae15ea8005f56445b29d2e64515c55b7
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCOCHHH", "totalE": -196.576621, "Ef": -0.11968881399997144}


unique_id: f7f78989144dc6bc2eeeb52ba4e481b7
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "CCC", "totalE": -163.74526799999998, "Ef": 3.011251225999956}


unique_id: 78e4de3d2dd2b71fcface776911fbfb2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCHH", "totalE": -185.100002, "Ef": 0.14831891149998455}


unique_id: 138be765a1a3c33444af3f4e7fa85f35
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOCH", "totalE": -178.877874, "Ef": 2.853993205999984}


unique_id: 939127fb3c328f1da196c1141d495d68
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHHCO", "totalE": -200.312228, "Ef": -0.3179581084999654}


unique_id: a101eb275f27c20aea13343034b4599b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHCHO", "totalE": -200.467449, "Ef": -0.5354621084999849}


unique_id: 62cdcf9c7e53d1204262b9e1e7541894
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOCHHH", "totalE": -196.606134, "Ef": -0.2248478139999861}


unique_id: a252f10c8ff38939b4e27fc725537635
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCCHHO", "totalE": -187.720687, "Ef": 1.0559596170000134}


unique_id: 77e0f78f13d3be2de49856205f887fea
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHOCHHH", "totalE": -200.902172, "Ef": -0.847551108499971}


unique_id: a7f59672031b695901ecac87b0f339c1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCCHH", "totalE": -189.03593700000002, "Ef": -0.25443938299997626}


unique_id: ad5ba1afe9bce5997cd382a444ed5086
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHHCHHOH", "totalE": -196.71039, "Ef": -0.6561979719999727}


unique_id: fbe8d3caeccf93ff392277bd93d44934
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHHCHO", "totalE": -188.72149, "Ef": 0.12500161700000945}


unique_id: f67e17e50259447a59c9e69dbb1e3ebb
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOCHOH", "totalE": -191.941996, "Ef": 0.7530404805000046}


unique_id: d8314cb240a44e27d60799839b6b92f9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHHCHOCHHH", "totalE": -202.16898, "Ef": -2.442939266499934}


unique_id: 3d7f1fae6586205f3355411f33d2263c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCOCHH", "totalE": -189.947914, "Ef": -1.0410863829999926}


unique_id: 4106711e000d8a5afaacf4aea1063fc8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHHCHOCO", "totalE": -196.916914, "Ef": -0.3879758139999865}


unique_id: 193638830bde54acd8849f1d7fa070be
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHOHCHHOH", "totalE": -214.558298, "Ef": 0.06370487150007875}


unique_id: c56d95d2d4189ba8bc96190f467e6b05
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCOCHHOH", "totalE": -211.052169, "Ef": -0.029231833999944}


unique_id: bb72f59a2980755ea4030dc95b7eb517
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOCHO", "totalE": -195.421785, "Ef": 1.4728533439999865}


unique_id: 283fdc4466c2b57ecb6b5621fc5c48ab
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCOCO", "totalE": -191.111062, "Ef": 2.1104566384999828}


unique_id: 2d3c5c989c3a68f01e47d9b2f5cbb044
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCCHO", "totalE": -188.830697, "Ef": 0.39969977499998777}


unique_id: 1b11ee266e1b3f7448011d3352c61e66
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCHHO", "totalE": -190.475639, "Ef": 1.8535634804999859}


unique_id: b6e38f64056be3295a699f423979e3c7
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHHCHHOH", "totalE": -207.755483, "Ef": -0.6809126974999344}


unique_id: 12e7f07e555ed9da3f743290c018cd42
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHOCHHH", "totalE": -203.971992, "Ef": -0.3457334029999686}


unique_id: 65268efae4f5b9eeea2eb433fb579dfe
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCC", "totalE": -175.825547, "Ef": 2.0192365004999715}


unique_id: fb10ab489d2d51846fa729f48d8058d9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCCHH", "totalE": -192.83113500000002, "Ef": -0.4905476774999613}


unique_id: 2823a195ea3ec10e22f7fbbc01f49208
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHCHHOH", "totalE": -199.733553, "Ef": 0.07421289150002508}


unique_id: 52c292cdadf705050b636ca95fdd5674
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCCHHO", "totalE": -183.880527, "Ef": 1.152261911499977}


unique_id: c65a100581729b09cc246f5b3e738580
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHHCCO", "totalE": -185.336639, "Ef": -0.05630808850000335}


unique_id: ce59fe96cc32543cb0246a9514e361f7
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHHCHH", "totalE": -200.961509, "Ef": -1.424319266499964}


unique_id: ca663e0245f94f944bcc6af24cf1956e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHHCHO", "totalE": -204.16903100000002, "Ef": -0.6558114029999729}


unique_id: b9d1fe49f4e94953889f5dc53dfc68d0
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOHCHO", "totalE": -192.30289399999998, "Ef": 0.5548654804999842}


unique_id: 5545e73831627f8ae06f89384c511d66
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHHCCO", "totalE": -185.957013, "Ef": -0.5846920884999918}


unique_id: f4da3f6d7ec6ac8e3855f4e2539d7b04
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHHCHHH", "totalE": -190.174573, "Ef": -1.6152335409999807}


unique_id: 63bb1097353282b24434826b0f836963
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCCHHO", "totalE": -188.654538, "Ef": 0.3075216169999919}


unique_id: 343aad16af7f9aa5db4bbf3a1eed0e28
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCCOH", "totalE": -192.076456, "Ef": 0.7959184805000064}


unique_id: a2044ced282f2cfd5dabd42f46468fca
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHHCC", "totalE": -178.67136399999998, "Ef": -0.925407657500017}


unique_id: 6a4d45d57413c121313359b349806518
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHOCHO", "totalE": -199.772065, "Ef": 0.6237890495000045}


unique_id: 25f2a1faeecb7e01035753971e0324c5
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHOCCO", "totalE": -186.789394, "Ef": 2.2419647749999854}


unique_id: 384c497afdbbd35e238aa1e79d5595cf
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHCHHH", "totalE": -186.619416, "Ef": -1.6634302464999564}


unique_id: 6aa0caeac54cfb6da29b1891ba89fb97
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOCHHH", "totalE": -200.65936200000002, "Ef": -0.6705071084999759}


unique_id: 79690a134a98d8c46f8e915ab3596860
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCCO", "totalE": -180.421382, "Ef": 1.3083702060000064}


unique_id: d2ba004eb2d869e513a1ab3ad6a197a8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCHHOH", "totalE": -196.168756, "Ef": 0.1854971859999921}


unique_id: 4788a407c6f47aa1cff466e6d81e285d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHCHH", "totalE": -191.302313, "Ef": 1.1849653225000338}


unique_id: 87db6da8059ed0d136838dbabebe383b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHCHHH", "totalE": -197.105747, "Ef": -1.0216709719999528}


unique_id: 482694667138331f8d498a60481545fa
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOCHHH", "totalE": -189.615267, "Ef": -0.66219638299998}


unique_id: f40d86a8d4beccd986417c84d1435864
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHOCHHOH", "totalE": -207.26201799999998, "Ef": 0.19881446050001728}


unique_id: 87218158fe695c4fcd54489a0c4efdbf
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHCOOH", "totalE": -207.039351, "Ef": 0.4282164605000389}


unique_id: 9ee732f1cc8941dd1047f007855e7442
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOCHHOH", "totalE": -207.199415, "Ef": 0.2517564605000189}


unique_id: 4c45836f181d9a5d0779af45baaabd82
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHOHCHHOH", "totalE": -203.313634, "Ef": 0.14232159700003422}


unique_id: b6e63b898eef1445e3e9a214b1caa2e6
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCOH", "totalE": -187.377103, "Ef": 1.6223497749999751}


unique_id: 65a51e12ceee5681edc0d4214b735dcd
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHHCHHCHHO", "totalE": -201.98995, "Ef": -2.2602302664999456}


unique_id: 17bf4749f8c48354cc3d2b37d5f1aaf9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHHCHOCHHO", "totalE": -204.709317, "Ef": -1.010391402999943}


unique_id: a4fe2692e3d7d4280f1813896b05903a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCHHH", "totalE": -189.688384, "Ef": -0.8155933829999924}


unique_id: 4d0dc6decd032eece6cd0fc688cddb5b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHCHOH", "totalE": -196.03501, "Ef": 0.3598511860000144}


unique_id: ebc84551e36c9764f3bc7f60d5475e91
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCHHH", "totalE": -189.683076, "Ef": -0.775005383000007}


unique_id: d8209ba8a8f5d2e3686fd0f909078e53
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCCO", "totalE": -177.567998, "Ef": 0.6265025004999814}


unique_id: 1d17ccd665bcd01a760b1e00d8b853c3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHHCOCO", "totalE": -192.859878, "Ef": 0.05268148050001287}


unique_id: c85b924db44050e26ea6ab35659472e2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHCHOH", "totalE": -199.97933500000002, "Ef": -0.10493410849997531}


unique_id: 6cc7dd9e835b7d90987291f49b406760
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHOCHO", "totalE": -202.925455, "Ef": 0.9790447549999897}


unique_id: e67bf93c41be6f5968246ef996800c98
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCC", "totalE": -184.952166, "Ef": 0.25107991149999975}


unique_id: 4c42341f4c15010292d0e9dafb7bbe61
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCC", "totalE": -177.107648, "Ef": 0.9819265004999806}


unique_id: cf7d3a36842aa9c1ee826377a8b99a7d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCHCHHO", "totalE": -192.173232, "Ef": 0.060970322500025986}


unique_id: 5ac73e9a3424521d44d1b3c943d5f151
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCCOOH", "totalE": -199.43587, "Ef": 0.9149180494999882}


unique_id: 3edbf2e5e9b90a7924fe3e8e9f825e3f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHOCHHCHHO", "totalE": -203.30631100000002, "Ef": 0.3634215970000412}


unique_id: e778eafe637e4ce94a1de8b7c4b8817c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOCHO", "totalE": -188.57373700000002, "Ef": 0.6968737749999718}


unique_id: 8f0e929e25b3bdd331baf3553bf728e8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCHCO", "totalE": -188.31126799999998, "Ef": 0.8885307749999924}


unique_id: 4e5d9b079f80818b0e29839de2058cba
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCHCHHO", "totalE": -195.11275600000002, "Ef": 1.0832491860000175}


unique_id: 3ce84416f4a307c4d005b90bb59f08c9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHOCHHH", "totalE": -200.131902, "Ef": -0.09030610849995924}


unique_id: 7c49cbef4f51c49b3313714e867a17e9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHCHO", "totalE": -185.290396, "Ef": -0.024723088499996493}


unique_id: 2b66e6ededde3fa073697f8865fd007e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHOHCHHH", "totalE": -207.958251, "Ef": -0.7515256974999716}


unique_id: fb69913fb6742df495e5bbb823e68eb0
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCCHHO", "totalE": -194.844555, "Ef": 1.2839911860000086}


unique_id: c370dc461c854122859b4d42f3b069f1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHHCHOH", "totalE": -202.94858200000002, "Ef": 0.46664659700002176}


unique_id: a8ece65fc6a3f97b472aa2b2598a40f3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCHCHHH", "totalE": -194.028359, "Ef": -1.494279677499975}


unique_id: 3da8632a00f108926e9507478e3b75c6
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHOCCHHO", "totalE": -194.115657, "Ef": 2.127945186000005}


unique_id: 3f8c75f1849ae5635b3fb36ba65b5f86
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCCOOH", "totalE": -186.36828799999998, "Ef": 2.8456407749999926}


unique_id: a7c521ffc026b7dae327e7c5215157bc
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOHCHH", "totalE": -200.30378100000001, "Ef": -0.33301710849997335}


unique_id: 1b078442dd64e02fef4dc2f403cd4488
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOHCHOH", "totalE": -195.789906, "Ef": 0.5963051860000235}


unique_id: 1c7b1f67cd27e2b110f200e326ffe6a3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOCO", "totalE": -191.062893, "Ef": 2.1222626384999614}


unique_id: e35aba9fc16312d1562374b4ca142ce4
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCCHO", "totalE": -192.487404, "Ef": 0.15584648050000283}


unique_id: 82d6fb4d27afd68d913a906e14486643
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCHOH", "totalE": -191.98216100000002, "Ef": 0.7242424805000098}


unique_id: 5efaf7f646fde4e7c5c276798e4ec21c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCHOCHHH", "totalE": -197.462036, "Ef": -1.32581197199994}


unique_id: 92fb466d790a57e9d0abcbece9e4f612
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHHCOCHHH", "totalE": -198.182888, "Ef": -2.1463289719999636}


unique_id: 92bad23a854bb648f8c2da4e6798b35c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCCOH", "totalE": -180.686401, "Ef": 0.980699205999997}


unique_id: 3083818a3aba8c85ffb5cc21924cc4d5
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHOHCHHOH", "totalE": -214.335408, "Ef": 0.2889308715000425}


unique_id: eb28653f028575568ddb5c01ae22f2ab
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHHC", "totalE": -192.842712, "Ef": -0.35953567749996296}


unique_id: cbbf9e9a48c332a2962d19de99d55ecc
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHOCHHCO", "totalE": -194.67578400000002, "Ef": 1.5139501860000166}


unique_id: 41ae1bcc53e43d73d1b89d2bf5d9d36e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHCHO", "totalE": -195.553784, "Ef": 0.7464741860000004}


unique_id: e7f61b122f1c1266ee9bf91f8a2ad82c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCC", "totalE": -169.36698, "Ef": 1.2364159314999768}


unique_id: 15dd9726c09da8dac0a8ef3d7a1ba6d6
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCCO", "totalE": -181.565498, "Ef": 0.2062402059999897}


unique_id: d5d7d387ce720988c3ebb21befaff05b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCCO", "totalE": -177.111671, "Ef": 1.056397500499969}


unique_id: 5b49ce2878542cf0397a1a2448ac9458
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHHHCHHO", "totalE": -208.672025, "Ef": -1.4392106974999308}


unique_id: bbe611d97c55773500fd3d17dc3573d7
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHC", "totalE": -179.490383, "Ef": 2.275965205999995}


unique_id: 60ebcdd4229b5133f3e1174583e09152
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCHHCHO", "totalE": -196.198573, "Ef": 0.1510501860000204}


unique_id: 81e84d8d0660c15b98b7896d4bf63e45
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOHCHHH", "totalE": -200.26405400000002, "Ef": -0.2901771084999609}


unique_id: 808463519b694f3b1b5a9688c6e50ea8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHOCHOCHHO", "totalE": -207.053539, "Ef": 0.6538584605000324}


unique_id: a10f8a7c3e86e6d667b004b1d895fee0
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHOCHHH", "totalE": -208.767298, "Ef": -1.5238476974999458}


unique_id: 8e229b1ee3841905232e556fc83350d5
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHOHCHHOH", "totalE": -209.900697, "Ef": 0.8400641660000474}


unique_id: 46e935a3812fc14325d8db628fff8768
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCCHHO", "totalE": -190.531003, "Ef": 2.1842194804999906}


unique_id: ff2425d716916188fefac25d8e6579c4
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHOCO", "totalE": -193.181127, "Ef": 3.5596853439999734}


unique_id: 14b55617890ea766a1f745184e0f2b52
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHCHHH", "totalE": -197.750558, "Ef": -1.7508239719999494}


unique_id: 14aefc094d00915ad217aafc3a693c60
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHOCHO", "totalE": -198.70046299999998, "Ef": 1.7200220494999883}


unique_id: b885fa6477f218340497c34be9da674b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHCHH", "totalE": -182.024979, "Ef": -0.6402249519999827}


unique_id: 6f7233357da2eb0156b4d03b876247cf
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOCHOH", "totalE": -203.062609, "Ef": 0.8961287550000065}


unique_id: e55dd2947d84ce2dfa337ef612cdf419
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHHCHHOH", "totalE": -207.560973, "Ef": -0.5277496974999565}


unique_id: 993128e7117f1ecd06e6f32549a9be85
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOCHH", "totalE": -196.434773, "Ef": -0.04210981399998559}


unique_id: b1908ab4c673bb78497c68e80a6725b0
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOCHHH", "totalE": -196.340766, "Ef": -0.008205814000007194}


unique_id: b2d414589eb95e16daad1ea3b4cd0ddf
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHCOH", "totalE": -190.617944, "Ef": 2.16310448050001}


unique_id: 8c01b8eb9ea39820cf24e2bcc2aa5357
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHHCHHC", "totalE": -186.279231, "Ef": -1.2903332464999835}


unique_id: 4932a40f48e872011af3b49222106155
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCCHO", "totalE": -181.614133, "Ef": 0.1541142060000027}


unique_id: a9d28e0de98796c50c76b5c614aea3e2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHCHHOH", "totalE": -207.738159, "Ef": -0.7148486974999457}


unique_id: f96a56ba00647df6dc59d84fa3b8810a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCC", "totalE": -174.093619, "Ef": 0.12497363700001074}


unique_id: f95af2a3997f0e0289cfdb5d9b3d1438
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOCHHOH", "totalE": -196.478244, "Ef": -0.11935181399999806}


unique_id: 80d73c2ddd55dd05a206a6a18cfec545
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCOCHHH", "totalE": -194.193521, "Ef": -1.681744677499978}


unique_id: 15b058a79a40132548e507088bcd69d8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHCOH", "totalE": -194.48934599999998, "Ef": 1.8614311860000043}


unique_id: bdcfdb81a81def9c78cb4274f2e5dcb2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCHHCHH", "totalE": -188.520521, "Ef": 0.0015974590000382705}


unique_id: b9a0db398940861a66a1f6e2ea882a65
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHOCHHH", "totalE": -204.539632, "Ef": -0.9650984029999563}


unique_id: b04faa275197ab3c8127a4fac0eab98c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCCHO", "totalE": -185.22952, "Ef": 0.060534911499985355}


unique_id: 421242a31aaa345ddf5c46a7c3d049c1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOHCHHH", "totalE": -204.572325, "Ef": -1.065545402999959}


unique_id: 75d9b15e23abe30c5a3b78310885f366
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCCHHH", "totalE": -193.35206399999998, "Ef": -0.9536936774999845}


unique_id: 7a893c6d4311b7abef77ca917713cc1f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHCO", "totalE": -192.790827, "Ef": 0.1174574805000077}


unique_id: af4f40c1febc4b939e70a887984f315e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCHHCHHH", "totalE": -194.54623700000002, "Ef": -2.4026348354999527}


unique_id: 6eb4ee594117b4d7d61232e1783f1db8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCC", "totalE": -180.861208, "Ef": 0.7072842059999971}


unique_id: 8cc3d8420c7420deba8c81c03eab9342
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCCO", "totalE": -188.682517, "Ef": 0.6357357749999721}


unique_id: 5a0d865228f6de39bb5a6cc3c9abc962
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHCHHH", "totalE": -193.37024499999998, "Ef": -0.8549966774999689}


unique_id: 440f8f9ea9275f3b57e323de0c532f39
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOCHO", "totalE": -198.94779, "Ef": 1.3141120494999825}


unique_id: 51b9f5e5cfb111a2f1b43fa4a2be709f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCHCO", "totalE": -186.82273600000002, "Ef": 2.4891257749999625}


unique_id: d545f8b8b951926c2214b81e38845e37
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHOCHHO", "totalE": -211.325946, "Ef": -0.09808283399996753}


unique_id: b6b10bf79e2941f67478d072a88eebdb
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOCHHO", "totalE": -192.215913, "Ef": 0.7212794805000158}


unique_id: fdfa696c7f86645107f3fc3d247a1235
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHHOCHHO", "totalE": -211.328539, "Ef": -0.09760483399995223}


unique_id: 2fad9abd50749ad36deea01104eeae53
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCHO", "totalE": -188.502972, "Ef": 0.7417027749999647}


unique_id: 9df2923a8098294fefe122f752899d20
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOHCHO", "totalE": -199.005235, "Ef": 1.2593340494999836}


unique_id: 32fe41ddec0ad6f730116f068f3539e8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOHCHOH", "totalE": -202.667435, "Ef": 1.3432697549999943}


unique_id: 660b3d9d12d71d4aceb5a9eb6cca98fd
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHOHCHO", "totalE": -206.37223500000002, "Ef": 1.0823624605000361}


unique_id: 5af4a4300cb8782e83ca63b0755ad236
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCCHHO", "totalE": -184.90658100000002, "Ef": 0.44387091149999947}


unique_id: 3114e4b4fb6b4065a6cb7093a24dc13c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHOCHHOH", "totalE": -206.46050400000001, "Ef": 0.9160794605000149}


unique_id: ff5c2a615f3a38081b75d4c047f9507a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHOCHHOH", "totalE": -210.421382, "Ef": 0.6671611660000281}


unique_id: 7dfde4630b20ce5bf52f6d9823a9e0fb
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHHCHHCO", "totalE": -193.85833300000002, "Ef": -1.32284167749998}


unique_id: 206183115dac2472cdd366ae9c729c39
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCOCHHO", "totalE": -207.10378, "Ef": 0.2301474605000351}


unique_id: 727acaed84cb3fd817d111b5539aada6
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCCHHH", "totalE": -182.548398, "Ef": -1.171841951999994}


unique_id: e6021613724049c4619ee1d4843f1f51
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCCHHOH", "totalE": -199.74245, "Ef": -0.03512710849997802}


unique_id: 8ac9f66e311f35b705dde8fadfb457a3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHOCHOH", "totalE": -201.67097900000002, "Ef": 2.298138755000025}


unique_id: daaf1f941d0297ae62ee9c8d410d4dcc
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOCO", "totalE": -190.873683, "Ef": 2.460115638499957}


unique_id: b4689af6c9671addc91ba3948fd1fea2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHCH", "totalE": -175.656193, "Ef": 2.118919342499993}


unique_id: 66ef6bde08c44e9c5e985be03b842a19
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCOOH", "totalE": -194.025992, "Ef": 2.6037103439999782}


unique_id: fc73d51812777c8aa503ee1f93dd1eef
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHCHHOH", "totalE": -204.210058, "Ef": -0.7094144029999541}


unique_id: d1dff92b77af539acddc85119aef9e85
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOCHHO", "totalE": -190.637687, "Ef": 1.9877874805000033}


unique_id: 6e140b5bf694c6daf181e3b400800b5b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHHCCHHO", "totalE": -191.41777, "Ef": 0.9085613225000202}


unique_id: ed16e6f5592bb09cb382689ee3f49593
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHOHCHO", "totalE": -210.75304599999998, "Ef": 0.18419416600002592}


unique_id: d74ecae36bd8d058bc504f8b008d37d7
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHOHCHO", "totalE": -202.16050900000002, "Ef": 1.748896755000004}


unique_id: a36b433b803c11adabcc455b741a4527
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHHCHHH", "totalE": -201.359072, "Ef": -1.8211772664999444}


unique_id: 16a42683cbce8cbf3a6e9ab204ceb26f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHC", "totalE": -185.315818, "Ef": 0.031067911500002765}


unique_id: 9497dae559fd9c651dd6939ac3144ca3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHCHHOH", "totalE": -193.033319, "Ef": -0.6618246774999648}


unique_id: fda7d12ab32e01d334abd8071a9ff3bc
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOCHH", "totalE": -185.063251, "Ef": 0.3097489115000087}


unique_id: 3466469db03480319d31ba453d076c8d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHOCHHH", "totalE": -193.011689, "Ef": -0.4634116774999768}


unique_id: d823b5521028da83b180ed8aff841c79
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCCO", "totalE": -187.35843400000002, "Ef": 1.8066737749999788}


unique_id: f094cce01372bf8770cd2176e1345e91
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHOHCHHO", "totalE": -215.380057, "Ef": -0.6016361284999334}


unique_id: 72945493f721e2d0fcb86f4f5964a7f3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOCHHOH", "totalE": -202.76073300000002, "Ef": 1.0723957550000023}


unique_id: 37759de56a576bb4c97dc3ca16e5599c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHCO", "totalE": -188.046152, "Ef": 1.2411967749999917}


unique_id: 87bf5c6632870c7f09e60a90a78ea4fe
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHCO", "totalE": -196.229342, "Ef": 0.0943061860000114}


unique_id: 35c73ca33b5a949e0910b88f88cdec77
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCHCO", "totalE": -185.460058, "Ef": -0.09913608850001765}


unique_id: 65ef8457022d37db06bce361db8f2a15
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCHHC", "totalE": -180.25787, "Ef": 1.0779970480000145}


unique_id: d1dca98b167630a9173d4189d652e729
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCOCO", "totalE": -199.20015700000002, "Ef": 1.2381660494999949}


unique_id: 8285f1ecdcbede1daf7bcfb3c0a4812b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHCOH", "totalE": -182.633216, "Ef": 2.6252599114999953}


unique_id: a1a03aee3496ee33e4bf64e7270bfb5b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHCHHOH", "totalE": -203.439471, "Ef": -0.09775440299995353}


unique_id: 6d7be92dba026e878b4740d3e7ab1a64
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCCO", "totalE": -191.94511699999998, "Ef": 0.7235824804999993}


unique_id: d3d9f768fae62a48ef286d409f44cd6a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHCHHO", "totalE": -203.821792, "Ef": -0.278395402999962}


unique_id: d9ce2f860e9d1d9c495d5f51a1af246f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOCHHH", "totalE": -200.607843, "Ef": -0.6075961084999904}


unique_id: 8fe774e9d445b13f576d92c000336ec9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHHCHHH", "totalE": -201.247941, "Ef": -1.6122692664999647}


unique_id: 190c022ff3b9617e4cef8cdf0d9d4db9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHCOH", "totalE": -193.350041, "Ef": 2.8341341860000284}


unique_id: 34483228eb6205789626fa73e3ff3cec
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCHHCHHH", "totalE": -197.70914399999998, "Ef": -1.6429519719999632}


unique_id: 787899c0f4ab5970d1c646d1be9aceb0
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCOCHO", "totalE": -195.70029399999999, "Ef": 1.0992943439999863}


unique_id: 1bd64ae75e2f6546a79e7c168d6ae885
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOHCHOH", "totalE": -206.77243700000002, "Ef": 0.6845454605000327}


unique_id: f17a4d5003137cbce00ad204b8ba2bcd
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHCHHO", "totalE": -188.679349, "Ef": 0.22785561700001722}


unique_id: 578072d7d287eee14dfe1eb7aeaeb3e0
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHHCHO", "totalE": -199.790491, "Ef": 0.1633498915000473}


unique_id: 6a3620722cdbfaaa5dae8b9ea4a33ff3
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCHH", "totalE": -184.977157, "Ef": 0.3629639115000032}


unique_id: c73d7129a260ad12066a2e34e8ba637a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHCO", "totalE": -179.468151, "Ef": 2.297175205999963}


unique_id: f8bcb7c98808bf7983e5fe99fe577f16
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHCO", "totalE": -190.468652, "Ef": 2.2807324805000064}


unique_id: 1ed82d7b0f8eeafb7273b7001ffa96ec
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHHCHH", "totalE": -184.165184, "Ef": 0.761381753500018}


unique_id: 8aa6e9c793477f88eb2e0d050090ff0b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCCHH", "totalE": -178.45890500000002, "Ef": -0.7222166574999846}


unique_id: d3eafb551274264832cdac89d719f17e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOCOH", "totalE": -192.973129, "Ef": 3.6232093439999744}


unique_id: 6baded6b63cf126e510ce512e9d33abe
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCOH", "totalE": -187.562757, "Ef": 1.5478877749999924}


unique_id: e0de4fd4cd0826f45fb745cefe0d1254
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHCHHH", "totalE": -197.97338100000002, "Ef": -1.9754799719999596}


unique_id: bbfe459ef12c056cd9c877bd8888cfd0
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHHCHHH", "totalE": -201.13304499999998, "Ef": -1.5283112664999408}


unique_id: 62c333960014cb5fcdb0ecd69646f746
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCCHHOH", "totalE": -189.346389, "Ef": -0.5486803830000042}


unique_id: 2ce97aa36d7c5266f9ed4ca0410a4ce6
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCCHO", "totalE": -196.616001, "Ef": -0.1373708139999792}


unique_id: 49cdb817d81e520f07a82b4dc77da5e2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCHHOH", "totalE": -196.165696, "Ef": 0.2898261859999991}


unique_id: 87a42f44942b7ed629d928d95a59a0b8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHHC", "totalE": -187.884202, "Ef": 0.8027646170000082}


unique_id: 9830ec53e9a17d715eba018ec1c409c2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOCHH", "totalE": -192.281543, "Ef": 0.41234148050000385}


unique_id: d4d90827c6f0986e5993915ac1ab7e22
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCCHHO", "totalE": -198.969395, "Ef": 0.9526598915000193}


unique_id: 51246588e08732047a088478cfa1c052
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHCHH", "totalE": -188.825739, "Ef": 0.1009196169999882}


unique_id: 6375876884317efe59c945e58e65380e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHOCOCO", "totalE": -193.80101200000001, "Ef": 2.8530503439999677}


unique_id: 224a814f3f2a708ec99a3fe3d32c76ca
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCHCHHH", "totalE": -190.94613600000002, "Ef": -2.4175055409999686}


unique_id: a1c3b20194ad7e5eafd5aeb3393b3370
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHOCOH", "totalE": -197.760577, "Ef": 2.552716049499992}


unique_id: 182215216f2187e3ec95613d3c177e91
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOCHOH", "totalE": -199.015149, "Ef": 1.3898880495000014}


unique_id: 3aef6cf773d595498fcb3fcc02b588cc
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCHHCO", "totalE": -192.237184, "Ef": 0.5290094804999796}


unique_id: 2cbfa0c8d7b3c45c87f708026b2c6093
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCHCHO", "totalE": -189.71358500000002, "Ef": -0.8326263829999903}


unique_id: 42f7796f3c699b37b95a53188f4103b1
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOCHO", "totalE": -199.440107, "Ef": 0.7592140495000024}


unique_id: f01a81ac6b1ff92eb546f1f99e42ca0d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCHOCHHH", "totalE": -200.790786, "Ef": -0.8155661084999792}


unique_id: 736da4a3c69223470e504201c62e5460
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOCO", "totalE": -195.603385, "Ef": 1.3099113439999996}


unique_id: af549c3ae474f592d51e284730b1f246
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHOCHH", "totalE": -203.825202, "Ef": -0.2929484029999685}


unique_id: 1976bb2b9e9a0f6b6a1f1705dcd3a5eb
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "OCCCO", "totalE": -180.980827, "Ef": 1.1732573639999373}


unique_id: 32495c477befba519d161f5065d72cbf
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCCO", "totalE": -192.37663, "Ef": 0.3989954804999911}


unique_id: 7050bbe1b82532855d9f0803296bee14
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCO", "totalE": -183.894218, "Ef": 1.8022090694999804}


unique_id: 8a173bef6fa7989b5537b11e65c9ed5c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHHCCHHH", "totalE": -189.923601, "Ef": -1.3886335409999617}


unique_id: 9e79344ea65c847fca5c1cec0d6a99ba
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCHC", "totalE": -178.050756, "Ef": -0.2385886575000029}


unique_id: 8ab14afd1e5d8a17910cb7a3aebc8b48
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCHOCO", "totalE": -195.29699499999998, "Ef": 1.489643344000001}


unique_id: 8cc594d61de3d29fe4ff831721fa7554
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHOCHHOH", "totalE": -210.374974, "Ef": 0.6704871660000435}


unique_id: 70d6f62cc16b8ed71b2830a020e414c9
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCHCHH", "totalE": -186.789025, "Ef": -1.863921246499956}


unique_id: cb6b159420065c1dd2a33fc694906b1c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCCH", "totalE": -174.143668, "Ef": 0.06518363699998986}


unique_id: 1d8b5c1e524e3ac70feca0f85293ea79
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCOCHHH", "totalE": -204.46451399999998, "Ef": -1.0472154029999388}


unique_id: 578739996b95e9dd313a36f934e4dc9e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOCHH", "totalE": -192.064775, "Ef": 0.8265404805000003}


unique_id: 574cf19066ba3e0467bb7935a54a6044
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHHCHOH", "totalE": -191.411131, "Ef": 0.7550263225000435}


unique_id: 93b6e159ad61e2406a4103330839714a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHOCHHOH", "totalE": -215.409785, "Ef": -0.6673941284999501}


unique_id: 9eab5ba43b3168d5fc72cd104a493e2a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOHCHH", "totalE": -195.58508600000002, "Ef": 0.6958251860000075}


unique_id: 2e6e38f937ff0bc3b24661466d23b2de
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHC", "totalE": -189.049399, "Ef": -0.16196438299996885}


unique_id: 9ef3df1f49d56d11f00ab5eebf4afd9e
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHCHO", "totalE": -196.53557, "Ef": -0.22039181399998142}


unique_id: e744a228b7b3da867c948e6764c20e3a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOHCHHOH", "totalE": -210.97850899999997, "Ef": -0.0022978339999610853}


unique_id: ab70edcc6723d4f2547f664a58102c2c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCCO", "totalE": -184.918644, "Ef": 0.7540270694999833}


unique_id: 3ee85b50eb318c1931032db4c7c85c5a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOCHHH", "totalE": -190.081333, "Ef": -1.136809382999985}


unique_id: 9d1c49874dc461b03b2076bb0fbfbecd
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "OCCOCO", "totalE": -187.269225, "Ef": 2.494371932999968}


unique_id: e3eda27881a6722b9bc852cc6b62f15d
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHOCO", "totalE": -203.343941, "Ef": 0.6361297550000131}


unique_id: 3a4a4b5f493a53766b005273289c2d7a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCOCHO", "totalE": -192.78621299999998, "Ef": 0.07296148049999829}


unique_id: e310c13e443fd6640255a15b115486f2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCHHCO", "totalE": -187.739182, "Ef": 1.183792617000023}


unique_id: 90d14e66f65dcc928f2d06c523df21e2
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCHHC", "totalE": -184.916718, "Ef": 0.3239379114999963}


unique_id: b88fc988934ff12989119bcf38b7bf4c
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOCHHOH", "totalE": -203.170354, "Ef": 0.7968997549999983}


unique_id: d2c865900944d741eb7449ae29790331
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCCO", "totalE": -184.047178, "Ef": 1.565669069499961}


unique_id: d27a87f3df95bc76a17fb9e000c415da
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHOHCHO", "totalE": -195.5864, "Ef": 0.6595741860000146}


unique_id: 97b68ed64546036a359330a99d010fa0
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHOHCHOH", "totalE": -209.58168, "Ef": 1.4383931660000542}


unique_id: 9a8371934e00d29a8509bf4f9f7ad788
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCCHHOH", "totalE": -203.163398, "Ef": 0.2808315970000308}


unique_id: bfdb96ec93d91df5ff68ad3c1b9bc803
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOHCHHOH", "totalE": -206.78564, "Ef": 0.7153994605000378}


unique_id: c268c455c7aaceecaae00e9f4e73439f
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCOCCHHH", "totalE": -189.178299, "Ef": -0.3525993829999834}


unique_id: ce0f9f55c24b8f87f44bf8fc2f78bcd6
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCHOCHO", "totalE": -207.118326, "Ef": 0.42484246050003094}


unique_id: 58d7ccee7950d5e7c95a8c02d8056c3a
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOHCHO", "totalE": -203.589147, "Ef": 0.3352987549999966}


unique_id: 1256b9b43be03708f317887fd05843d7
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHHCOCHO", "totalE": -203.39903700000002, "Ef": 0.5235637550000263}


unique_id: 627adb28c7ee502daa1f8279a9118697
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCOCHHO", "totalE": -201.802221, "Ef": 1.73884175500001}


unique_id: 605bc16acb19ea8843cadfdfda8be353
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOCO", "totalE": -184.6097, "Ef": 1.1324570694999636}


unique_id: e2c80a3fefc68b9197c274c32a0f7421
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCCHHO", "totalE": -191.930964, "Ef": 0.8734684805000086}


unique_id: 50b0e5a6beb89e7e9f8a9691bc4ec640
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCHCCHHH", "totalE": -186.388975, "Ef": -1.4155472464999548}


unique_id: a11462901ad56188a41bcecad2a5c092
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCCHHH", "totalE": -182.884782, "Ef": -1.506483951999968}


unique_id: e31ee2611d9afc643ab7dd178693ad6b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOCHO", "totalE": -195.02438999999998, "Ef": 1.5350223439999695}


unique_id: 705878dff22652a48c56c1e4ccdc77fe
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCHHCHOH", "totalE": -198.454694, "Ef": 1.4371898915000259}


unique_id: a56ff68af412b2e47e7e5afd714c138b
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCOHCHHO", "totalE": -194.56526599999998, "Ef": 1.4405061860000217}


unique_id: 79c0a4cb865cae894b2b1194a5cfc867
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HCCHHHCHHH", "totalE": -194.430241, "Ef": -2.273449835499946}


unique_id: 77815923c42e103c3c5dec5e6af50ef8
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCHCHCHH", "totalE": -193.465914, "Ef": -1.1398926774999723}


unique_id: dd91437d29bfe2b7810def83e7d48d33
key_value_pairs: {}
constraints:
[cell repeats an earlier one in this file: 109 characters]

data:
  {"surface": "Cu111", "system": "C3", "formula": "HOCCOCHHO", "totalE": -196.823321, "Ef": 3.3832240495000008}


