{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" [ 5.74613 5.361117 5.122502 4.949135 4.81289 4.700639 4.605184 4.522145 4.448663 4.382761 4.323023 4.268392 4.218063 4.171409 4.127929 4.087218 4.048945 4.012835 3.978655 3.94621 3.915332 3.885877 3.85772 3.83075 3.81239 3.793066 3.772673 3.751085 3.728152 3.703697 3.677502 3.649302 3.618763 3.585462 3.548849 3.508192 3.462486 3.410296 3.349474 3.276587 3.185634 3.0646 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.74613e-10 5.361117e-10 5.122502e-10 4.949135e-10 4.812890000000001e-10 4.700639e-10 4.6051840000000004e-10 4.522145e-10 4.448663e-10 4.3827610000000006e-10 4.323023e-10 4.2683920000000005e-10 4.218063e-10 4.171409e-10 4.127929e-10 4.087218e-10 4.0489449999999997e-10 4.012835e-10 3.978655e-10 3.9462100000000004e-10 3.915332e-10 3.885877e-10 3.85772e-10 3.8307500000000004e-10 3.81239e-10 3.793066e-10 3.7726730000000005e-10 3.751085e-10 3.7281520000000003e-10 3.703697e-10 3.677502e-10 3.649302e-10 3.618763e-10 3.5854620000000005e-10 3.5488490000000003e-10 3.5081920000000004e-10 3.4624860000000004e-10 3.4102960000000004e-10 3.349474e-10 3.2765870000000003e-10 3.185634e-10 3.0646e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ -0.148268 -0.264251 -0.347998 -0.401267 -0.42766 -0.434002 -0.4269 -0.256932 -0.145745 -0.0191929 0.115563 0.253502 0.391987 0.530233 0.668221 0.806103 0.943635 1.07972 1.21213 1.33743 1.45123 1.54875 1.62663 1.67882 1.65097 1.61454 1.57546 1.53081 1.47916 1.41888 1.34792 1.26364 1.17482 1.04747 0.903433 0.712962 0.487606 0.183833 -0.202877 -0.758571 -1.55358 -2.84831 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -2.3755152321277443e-20 -4.233767742230208e-20 -5.575542596851584e-20 -6.429006060985537e-20 -6.85186853651328e-20 -6.953478577804417e-20 -6.8396919941952e-20 -4.1165044353538563e-20 -2.3350923159849604e-20 -3.075041566535232e-21 1.8515233682951042e-20 4.061549777260416e-20 6.280324070575296e-20 8.495269161766463e-20 1.0706080637275968e-19 1.2915193805567424e-19 1.5118699355686081e-19 1.7299021410101761e-19 1.942046347370304e-19 2.142799077956544e-19 2.325126777403584e-19 2.4813710414640003e-19 2.6061485566919043e-19 2.689766154531456e-19 2.645145535642176e-19 2.5867782413464325e-19 2.524165179005568e-19 2.452627992886848e-19 2.369875570422528e-19 2.273296363720704e-19 2.1596059107087362e-19 2.0245744651077123e-19 1.882269137648256e-19 1.6782319449893759e-19 1.4474592310592065e-19 1.1422910479188096e-19 7.812309333618049e-20 2.9453293473152643e-20 -3.250447862980416e-20 -1.215364721416877e-19 -2.489109554542464e-19 -4.563495690790848e-19 ] } }