{ "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" [ 8.87288 8.278364 7.909906 7.642202 7.431819 7.258487 7.11109 6.982867 6.869399 6.767637 6.675392 6.591033 6.513319 6.441278 6.374138 6.311275 6.252176 6.196416 6.143637 6.093537 6.045857 6.000375 5.956895 5.91525 5.873149 5.829763 5.785013 5.738808 5.691052 5.641637 5.590442 5.537337 5.482171 5.424778 5.364973 5.302541 5.237243 5.168802 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.87288e-10 8.278364e-10 7.909906000000001e-10 7.642202e-10 7.431819e-10 7.258487e-10 7.11109e-10 6.982867e-10 6.869399e-10 6.767637e-10 6.675392000000001e-10 6.591033e-10 6.513319e-10 6.441277999999999e-10 6.374138e-10 6.311275e-10 6.252176000000001e-10 6.196416e-10 6.143637e-10 6.093537000000001e-10 6.045857000000001e-10 6.000375000000001e-10 5.956895000000001e-10 5.915250000000001e-10 5.873149e-10 5.829763e-10 5.785013e-10 5.738808e-10 5.691052e-10 5.641637000000001e-10 5.590442000000001e-10 5.537337000000001e-10 5.482171e-10 5.424778e-10 5.364973e-10 5.302541e-10 5.237243000000001e-10 5.168802e-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" [ 3.23051 3.51426 3.24628 3.1775 3.32168 3.54939 3.77639 3.9418 4.04371 4.12433 4.19018 4.24149 4.27925 4.30469 4.3215 4.33414 4.34587 4.36229 4.40365 4.48481 4.60356 4.733 4.8249 4.85388 4.83364 4.79083 4.73284 4.66437 4.58823 4.50458 4.40935 4.30478 4.20274 4.11056 3.9991 3.85343 3.62371 2.05392 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.17584763790334e-19 5.63046525780084e-19 5.20111396342152e-19 5.090916254535e-19 5.32191808162512e-19 5.686749722953259e-19 6.05044381887126e-19 6.3154598559012e-19 6.478737676672139e-19 6.607905156905219e-19 6.713408488254119e-19 6.795616171344659e-19 6.8561143610445e-19 6.896873734613459e-19 6.923806323831e-19 6.944057836484759e-19 6.962851368401579e-19 6.98915910873186e-19 7.055425134314099e-19 7.18545778992954e-19 7.375716265217039e-19 7.583102008721999e-19 7.7303420413866e-19 7.77677312023992e-19 7.744345065167759e-19 7.675755883466219e-19 7.58284566046056e-19 7.473144626330579e-19 7.35115489741782e-19 7.217132821983719e-19 7.0645575411279e-19 6.89701793051052e-19 6.733531826777161e-19 6.58584318465504e-19 6.407264577029399e-19 6.17387550675462e-19 5.80582349039214e-19 3.29074263210528e-19 ] } }