{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "O" "O" "O" "O" ] } "a" { "source-value" [ 5.51816 5.148422 4.919274 4.752785 4.621945 4.514147 4.422479 4.342735 4.272168 4.208881 4.151512 4.099049 4.050717 4.005914 3.964159 3.925063 3.888309 3.853631 3.820807 3.789649 3.759996 3.73171 3.70467 3.67877 3.661138 3.642582 3.622998 3.602266 3.580243 3.556758 3.531603 3.504521 3.475194 3.443214 3.408054 3.369011 3.325118 3.274999 3.216591 3.146596 3.059252 2.94302 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.51816e-10 5.148422e-10 4.919274e-10 4.752785000000001e-10 4.621945e-10 4.5141470000000005e-10 4.422479e-10 4.342735e-10 4.272168e-10 4.208881e-10 4.1515120000000003e-10 4.099049e-10 4.050717e-10 4.005914e-10 3.964159e-10 3.9250630000000003e-10 3.888309e-10 3.853631e-10 3.820807e-10 3.789649e-10 3.759996e-10 3.73171e-10 3.7046700000000004e-10 3.67877e-10 3.661138e-10 3.6425820000000004e-10 3.622998e-10 3.602266e-10 3.580243e-10 3.556758e-10 3.5316030000000004e-10 3.504521e-10 3.475194e-10 3.4432140000000004e-10 3.408054e-10 3.3690110000000004e-10 3.325118e-10 3.2749990000000003e-10 3.2165910000000003e-10 3.146596e-10 3.059252e-10 2.94302e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0174394 0.0116622 0.000384178 -0.0143364 -0.0315385 -0.0506702 -0.0713751 -0.0934063 -0.116582 -0.140764 -0.165845 -0.191735 -0.218365 -0.245674 -0.27361 -0.301714 -0.329943 -0.358289 -0.386618 -0.414792 -0.442677 -0.470142 -0.497063 -0.52332 0.612307 0.594409 0.575033 0.5537 0.529627 0.501504 0.467123 0.422762 0.362215 0.275439 0.147391 -0.0407 -0.301257 -0.611564 -0.905183 -3.07643 -4.96217 -5.67304 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.794099896077952e-21 1.868490418709376e-21 6.155210098257024e-23 -2.2969444906437118e-21 -5.05302473551008e-21 -8.118260981126017e-21 -1.1435551652726208e-20 -1.4965339009543105e-20 -1.8678495480610563e-20 -2.2552878985029122e-20 -2.65712981676576e-20 -3.07193334389088e-20 -3.49859297800992e-20 -3.9361313913841924e-20 -4.3837154521708804e-20 -4.833991169680512e-20 -5.286269607966144e-20 -5.740422592898112e-20 -6.194303207804545e-20 -6.645700448948737e-20 -7.092467399658816e-20 -7.532505208561537e-20 -7.963827176647104e-20 -8.38451069197056e-20 9.810239601521858e-20 9.523482029931072e-20 9.213044287884864e-20 8.8712519493696e-20 8.485559971444416e-20 8.034979840376832e-20 7.484135496379585e-20 6.773393925626497e-20 5.80332404703072e-20 4.4130192625653124e-20 2.361464143163328e-20 -6.520858846656e-21 -4.8266692225234563e-20 -9.798335429229313e-20 -1.4502630401456065e-19 -4.928984221527744e-19 -7.950272762435137e-19 -9.089212056863232e-19 ] } }