{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.35098 4.992445 4.770239 4.608794 4.481918 4.377387 4.288496 4.211168 4.142739 4.08137 4.025739 3.974865 3.927998 3.884552 3.844062 3.806151 3.77051 3.736883 3.705053 3.67484 3.646085 3.618656 3.592435 3.56732 3.550222 3.532228 3.513237 3.493133 3.471778 3.449005 3.424611 3.39835 3.369912 3.338901 3.304806 3.266945 3.224382 3.175782 3.119143 3.051268 2.96657 2.85386 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.35098e-10 4.992445e-10 4.770239000000001e-10 4.608794e-10 4.4819180000000004e-10 4.377387e-10 4.2884960000000005e-10 4.211168e-10 4.142739e-10 4.0813699999999997e-10 4.025739e-10 3.974865e-10 3.927998e-10 3.884552e-10 3.844062e-10 3.806151e-10 3.77051e-10 3.7368830000000006e-10 3.705053e-10 3.6748400000000004e-10 3.646085e-10 3.618656e-10 3.592435e-10 3.5673200000000004e-10 3.550222e-10 3.532228e-10 3.513237e-10 3.4931329999999997e-10 3.471778e-10 3.449005e-10 3.424611e-10 3.3983500000000005e-10 3.369912e-10 3.338901e-10 3.304806e-10 3.266945e-10 3.224382e-10 3.175782e-10 3.1191430000000004e-10 3.0512679999999997e-10 2.96657e-10 2.85386e-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 1.9416 2.3191 2.60393 2.84288 3.04755 3.22503 3.38005 3.51599 3.63535 3.74005 3.83162 3.9113 3.98011 4.03891 4.08843 4.12931 4.16208 4.18722 4.20517 4.2163 4.22095 4.22096 4.22547 4.22216 4.21202 4.19551 4.17288 4.14321 4.10476 4.05521 3.99149 3.90936 3.80289 3.66359 3.4788 3.22899 2.88245 2.38431 1.6314 0.405427 -1.84576 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 3.1107861269452803e-19 3.7156078012972805e-19 4.171955768199744e-19 4.554795871739904e-19 4.882713360719041e-19 5.167067667378624e-19 5.415437087135041e-19 5.633236976966592e-19 5.82447277842528e-19 5.99222067062304e-19 6.138931983789697e-19 6.266593416935041e-19 6.376839190212288e-19 6.471047175515328e-19 6.550386961777344e-19 6.615883942035649e-19 6.668387269899264e-19 6.708665990146176e-19 6.737425060489536e-19 6.755257286279041e-19 6.762707407565761e-19 6.762723429331968e-19 6.769949245891776e-19 6.764646041276928e-19 6.748399970342016e-19 6.721948034332608e-19 6.685690777403905e-19 6.638154197064768e-19 6.576550505995008e-19 6.497162654434368e-19 6.395071960156993e-19 6.263485194290688e-19 6.092901449474112e-19 5.869718246196672e-19 5.573652028439041e-19 5.173412286796992e-19 4.61819400062496e-19 3.8200857387396484e-19 2.61379093917312e-19 6.495656608410816e-20 -2.9572335196078084e-19 ] } }