{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 6.87822 6.417354 6.131727 5.924205 5.761117 5.626751 5.512489 5.413091 5.325131 5.246246 5.174738 5.109344 5.0491 4.993254 4.941208 4.892476 4.846663 4.803438 4.762524 4.723687 4.686726 4.651468 4.617763 4.58548 4.563502 4.540372 4.515961 4.490119 4.462668 4.433394 4.402039 4.368282 4.331726 4.291864 4.248037 4.19937 4.144659 4.082187 4.009381 3.922134 3.813261 3.66838 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.87822e-10 6.417354e-10 6.131727e-10 5.924205e-10 5.761117e-10 5.626751e-10 5.512489000000001e-10 5.413091e-10 5.325131e-10 5.246246e-10 5.174737999999999e-10 5.109344000000001e-10 5.049100000000001e-10 4.993254000000001e-10 4.941208e-10 4.892476e-10 4.846663000000001e-10 4.803438e-10 4.762524e-10 4.723687e-10 4.686726e-10 4.6514680000000006e-10 4.6177630000000004e-10 4.5854799999999997e-10 4.563502e-10 4.540372e-10 4.515961e-10 4.490119e-10 4.462668e-10 4.433394e-10 4.4020390000000004e-10 4.368282e-10 4.3317259999999996e-10 4.2918640000000003e-10 4.248037e-10 4.19937e-10 4.144659e-10 4.082187e-10 4.0093810000000003e-10 3.922134e-10 3.813261e-10 3.6683800000000003e-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" [ 2.67527 3.09142 3.49892 3.8805 4.23386 4.56646 4.88094 5.17664 5.45209 5.70605 5.93784 6.14726 6.3346 6.50053 6.64599 6.77205 6.87982 6.97038 7.04472 7.10378 7.14838 7.17933 7.19737 7.20323 7.20041 7.19117 7.17412 7.14751 7.10914 7.05616 6.98485 6.89022 6.76548 6.60106 6.38312 6.09088 5.69192 5.13358 4.32602 3.10443 1.12956 -2.44007 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2862550836411793e-19 4.953000889880279e-19 5.60588786823528e-19 6.217246428236999e-19 6.78339156362724e-19 7.31627551209564e-19 7.820128019955959e-19 8.293891650629759e-19 8.73521120446506e-19 9.1420999824357e-19 9.513468504430558e-19 9.84899633512284e-19 1.0149148105736399e-18 1.041499727461602e-18 1.064804988779766e-18 1.0850020274279699e-18 1.1022686850125878e-18 1.1167779966100918e-18 1.128688577707248e-18 1.138151032907652e-18 1.145296740695292e-18 1.150255477377522e-18 1.153145804025258e-18 1.154084679532782e-18 1.1536328657219938e-18 1.1521524545121779e-18 1.1494207433512079e-18 1.1451573513281338e-18 1.139009799583476e-18 1.130521467776544e-18 1.1190963461994898e-18 1.1039349487119479e-18 1.083949397379432e-18 1.057606409163204e-18 1.0226885716018078e-18 9.75866561649792e-19 9.11946122659728e-19 8.22490192476972e-19 6.931048162216679e-19 4.973845207888619e-19 1.8097546387010396e-19 -3.9094231393243796e-19 ] } }