{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.29 4.002554 3.824407 3.694973 3.593254 3.509449 3.438183 3.376188 3.321326 3.272125 3.227525 3.186738 3.149163 3.114332 3.08187 3.051476 3.022902 2.995942 2.970424 2.946201 2.923148 2.901157 2.880135 2.86 2.839644 2.818667 2.797031 2.774691 2.751601 2.727709 2.702957 2.67728 2.650607 2.622858 2.593943 2.563757 2.532186 2.499095 2.464331 2.427715 2.38904 2.34806 2.304481 2.257954 2.208048 2.154235 2.095851 2.032046 1.961711 1.883353 1.794905 1.693378 1.574222 1.43 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.29e-10 4.002554e-10 3.824407e-10 3.6949730000000003e-10 3.593254e-10 3.5094490000000004e-10 3.4381830000000003e-10 3.376188e-10 3.321326e-10 3.272125e-10 3.227525e-10 3.186738e-10 3.1491630000000005e-10 3.114332e-10 3.08187e-10 3.0514760000000004e-10 3.022902e-10 2.995942e-10 2.9704240000000003e-10 2.946201e-10 2.923148e-10 2.901157e-10 2.880135e-10 2.86e-10 2.839644e-10 2.818667e-10 2.7970310000000003e-10 2.774691e-10 2.751601e-10 2.727709e-10 2.702957e-10 2.67728e-10 2.650607e-10 2.622858e-10 2.593943e-10 2.5637569999999997e-10 2.532186e-10 2.499095e-10 2.464331e-10 2.427715e-10 2.38904e-10 2.34806e-10 2.304481e-10 2.257954e-10 2.2080479999999998e-10 2.154235e-10 2.095851e-10 2.032046e-10 1.961711e-10 1.8833530000000002e-10 1.794905e-10 1.693378e-10 1.5742220000000001e-10 1.43e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0.0433175 0.199347 0.37185 0.515157 0.627973 0.724128 0.819708 0.91707 1.01288 1.10333 1.18564 1.25822 1.32054 1.37286 1.41597 1.45104 1.47924 1.50123 1.51756 1.52872 1.53513 1.53719 1.53503 1.52814 1.51588 1.4975 1.47186 1.43581 1.38502 1.31455 1.21877 1.09124 0.924618 0.710514 0.439388 0.100339 -0.319006 -0.832679 -1.44788 -2.15991 -2.98605 -3.96595 -5.16185 -6.70899 -8.91311 -12.0496 -16.3279 -22.3322 -32.0892 -49.7022 -84.1088 -158.564 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 6.940228634329499e-21 3.1938910545799796e-20 5.957693813528999e-20 8.253725082415379e-20 1.0061236673828819e-19 1.1601809616251518e-19 1.313317004302872e-19 1.46930812574238e-19 1.62281266904592e-19 1.7677295455912198e-19 1.89960470433576e-19 2.0158906844314796e-19 2.1157383322623598e-19 2.19956421375324e-19 2.26863404844498e-19 2.32482238299936e-19 2.37000376407816e-19 2.40523562825982e-19 2.43139917269304e-19 2.44927946392848e-19 2.45954941615242e-19 2.46284990001846e-19 2.45938919848902e-19 2.44835020148076e-19 2.4287075159479196e-19 2.399259509415e-19 2.35817970051924e-19 2.3004212328635397e-19 2.2190466816226795e-19 2.1061412942247e-19 1.9526848162201797e-19 1.7483592300861598e-19 1.4814013549758119e-19 1.138368928929876e-19 7.039771868599919e-20 1.6076080127892598e-20 -5.11103959305804e-20 -1.3340988374224858e-19 -2.31975950483592e-19 -3.4605573335429396e-19 -4.7841795379557e-19 -6.354152421612299e-19 -8.2701954582129e-19 -1.0748987015739658e-18 -1.4280376578271739e-18 -1.93055875690464e-18 -2.6160179862288597e-18 -3.5780129025814795e-18 -5.141256644375279e-18 -7.963170349839478e-18 -1.3475715407377919e-17 -2.5404753579357598e-17 ] } }