{ "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 10.9408 10.207731 9.753404 9.423311 9.163898 8.950171 8.768422 8.610316 8.470404 8.344927 8.231184 8.127165 8.03134 7.942509 7.859723 7.782209 7.709337 7.640582 7.575503 7.513727 7.454936 7.398853 7.345241 7.29389 7.241976 7.188479 7.133299 7.076326 7.017439 6.956507 6.893381 6.827898 6.759875 6.689106 6.615362 6.53838 6.457863 6.373471 6.284812 6.191431 6.092798 5.988285 5.877147 5.758486 5.631211 5.493972 5.345075 5.182354 5.002976 4.80314 4.57757 4.318645 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.09408e-09 1.0207731000000001e-09 9.753404e-10 9.423311000000001e-10 9.163898e-10 8.950171e-10 8.768421999999999e-10 8.610316e-10 8.470404e-10 8.344927e-10 8.231184000000001e-10 8.127165e-10 8.03134e-10 7.942509000000001e-10 7.859723e-10 7.782209e-10 7.709337e-10 7.640582000000001e-10 7.575503e-10 7.513727000000001e-10 7.454936e-10 7.398853e-10 7.345241e-10 7.293890000000001e-10 7.241976e-10 7.188479e-10 7.133299e-10 7.076326e-10 7.017439000000001e-10 6.956507000000001e-10 6.893381e-10 6.827898e-10 6.759875e-10 6.689106e-10 6.615362e-10 6.538380000000001e-10 6.457863e-10 6.373471000000001e-10 6.284812e-10 6.191430999999999e-10 6.092798e-10 5.988285e-10 5.877147e-10 5.758486000000001e-10 5.631211000000001e-10 5.493972e-10 5.345075e-10 5.182354e-10 5.002976000000001e-10 4.80314e-10 4.57757e-10 4.3186450000000003e-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" [ 2.64086 3.95848 5.11651 6.17786 7.16993 8.09925 8.97594 9.80003 10.5741 11.2998 11.9786 12.6119 13.1979 13.7365 14.2293 14.6753 15.0722 15.419 15.7149 15.9588 16.1499 16.287 16.3714 16.3999 16.3677 16.2601 16.0573 15.7353 15.261 14.5929 13.6777 12.4458 10.8058 8.63718 5.77638 2.0023 -2.9856 -9.6157 -18.4903 -30.4721 -46.8431 -69.5301 -101.53 -147.608 -215.633 -319.13 -482.474 -752.236 -1223.74 -2109.88 -3941.84 -8254.18 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2311241856652397e-19 6.34218416215632e-19 8.197552769627339e-19 9.898022940123239e-19 1.148749431341562e-18 1.29764291029245e-18 1.4381041336185958e-18 1.5701379078499018e-18 1.6941575945579398e-18 1.8104275528873198e-18 1.91918330280324e-18 2.0206491490344597e-18 2.1145366997868598e-18 2.2008299332940997e-18 2.27978519781762e-18 2.3512422756940198e-18 2.4148326662974798e-18 2.4703961519645998e-18 2.51780455856466e-18 2.55688164666792e-18 2.5874992421436598e-18 2.6094650837957998e-18 2.62298745458676e-18 2.6275536579936597e-18 2.6223946492321797e-18 2.6051552286503402e-18 2.5726630865128202e-18 2.52107299889802e-18 2.4450817611474e-18 2.33804034022986e-18 2.1914091346861797e-18 1.99403699514372e-18 1.7312800271677199e-18 1.383828797965212e-18 9.25478106510492e-19 3.2080382742581997e-19 -4.783458558470399e-19 -1.54060498595538e-18 -2.96247266156502e-18 -4.88216866089114e-18 -7.50509202841254e-18 -1.113995015796834e-17 -1.6266899365002e-17 -2.36494088591472e-17 -3.45482154119322e-17 -5.1130262920841997e-17 -7.730085693125159e-17 -1.2052149424536238e-16 -1.9606476340911598e-16 -3.38040043654392e-16 -6.31552394296656e-16 -1.3224654328830119e-15 ] } }