{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Cr" ] } "a" { "source-value" [ 3.6348 3.391255 3.240315 3.13065 3.044466 2.97346 2.913079 2.860552 2.814069 2.772382 2.734594 2.700036 2.6682 2.638689 2.611185 2.585432 2.561222 2.53838 2.516759 2.496236 2.476704 2.458071 2.44026 2.4232 2.405953 2.38818 2.369848 2.35092 2.331356 2.311113 2.290141 2.268386 2.245787 2.222276 2.197777 2.172202 2.145452 2.117415 2.08796 2.056937 2.024169 1.989447 1.952524 1.913103 1.870819 1.825225 1.775757 1.721697 1.662104 1.595714 1.520774 1.434753 1.333795 1.2116 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.6347999999999997e-10 3.391255e-10 3.240315e-10 3.1306500000000005e-10 3.044466e-10 2.9734600000000003e-10 2.9130790000000005e-10 2.860552e-10 2.814069e-10 2.772382e-10 2.734594e-10 2.700036e-10 2.6682e-10 2.638689e-10 2.611185e-10 2.585432e-10 2.561222e-10 2.53838e-10 2.516759e-10 2.496236e-10 2.476704e-10 2.458071e-10 2.44026e-10 2.4232e-10 2.405953e-10 2.3881800000000004e-10 2.369848e-10 2.35092e-10 2.3313560000000003e-10 2.3111130000000002e-10 2.2901410000000003e-10 2.268386e-10 2.2457870000000001e-10 2.222276e-10 2.197777e-10 2.172202e-10 2.1454520000000002e-10 2.117415e-10 2.0879599999999998e-10 2.056937e-10 2.0241690000000003e-10 1.989447e-10 1.952524e-10 1.913103e-10 1.870819e-10 1.8252250000000003e-10 1.7757570000000002e-10 1.7216970000000002e-10 1.662104e-10 1.595714e-10 1.520774e-10 1.434753e-10 1.333795e-10 1.2116e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.711615 1.02713 1.28 1.492 1.67569 1.83714 1.97984 2.10667 2.21972 2.32057 2.41048 2.49045 2.5615 2.62435 2.67941 2.72717 2.76807 2.80249 2.83119 2.85435 2.87198 2.88431 2.89156 2.89394 2.89136 2.88329 2.8685 2.84549 2.81264 2.76798 2.70911 2.63366 2.53756 2.41627 2.26415 2.07427 1.83748 1.54211 1.17355 0.711983 0.130857 -0.603649 -1.54214 -2.75318 -4.33486 -6.43021 -9.25443 -13.1462 -18.6569 -26.7253 -39.0687 -59.0535 -94.0529 -162.78 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.14013292540391e-19 1.64564368608042e-19 2.0507860915199998e-19 2.390447537928e-19 2.6847513638274596e-19 2.94342278138676e-19 3.17205338705856e-19 3.3752574495487795e-19 3.55638351802248e-19 3.71796303156138e-19 3.8620147327243203e-19 3.9901407981453e-19 4.103975447991e-19 4.2046722494379e-19 4.2928880949059394e-19 4.3694080509457795e-19 4.434937075276379e-19 4.49008399501866e-19 4.536066464414459e-19 4.5731728752579e-19 4.60141924931532e-19 4.62117408721254e-19 4.632789867809039e-19 4.63660304819796e-19 4.63246943248224e-19 4.61953986704586e-19 4.595843674629e-19 4.558977590280659e-19 4.506346087853759e-19 4.43479287937932e-19 4.34047274093574e-19 4.2195885139004397e-19 4.0656193393730396e-19 3.8712913354351795e-19 3.6275682258710994e-19 3.3233469266071795e-19 2.94396752144232e-19 2.47073260905774e-19 1.8802343888307e-19 1.140722526405222e-19 2.0965602779533798e-20 -9.67152322937466e-20 -2.47078067435676e-19 -4.41108066519612e-19 -6.94521140366124e-19 -1.030233221371314e-18 -1.4827231506988618e-18 -2.1062534465890797e-18 -2.98916492428746e-18 -4.28186511966402e-18 -6.259495826075579e-18 -9.461413785591899e-18 -1.5068935873993857e-17 -2.6080231248252e-17 ] } }