{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 7.1451 6.666352 6.369643 6.154068 5.984652 5.845073 5.726378 5.623123 5.53175 5.449805 5.375522 5.30759 5.245009 5.186996 5.13293 5.082308 5.034717 4.989815 4.947314 4.90697 4.868575 4.831949 4.796936 4.7634 4.74057 4.716542 4.691184 4.664339 4.635823 4.605414 4.572842 4.537776 4.499801 4.458393 4.412866 4.362311 4.305477 4.240581 4.164951 4.074319 3.961222 3.81072 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.1451e-10 6.666352e-10 6.369643000000001e-10 6.154068e-10 5.984652e-10 5.845073e-10 5.726378e-10 5.623123e-10 5.53175e-10 5.449805e-10 5.375522e-10 5.30759e-10 5.245009e-10 5.186996e-10 5.13293e-10 5.082308000000001e-10 5.034716999999999e-10 4.989815e-10 4.947314e-10 4.90697e-10 4.868575e-10 4.831949e-10 4.796935999999999e-10 4.7634e-10 4.74057e-10 4.716542e-10 4.691184e-10 4.664339e-10 4.635823e-10 4.605414e-10 4.572842e-10 4.537776e-10 4.499801e-10 4.458393e-10 4.4128660000000004e-10 4.3623110000000004e-10 4.305477e-10 4.240581e-10 4.1649510000000005e-10 4.074319e-10 3.961222e-10 3.81072e-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" [ 1.47137 1.79808 1.88881 1.93934 1.99555 2.05 2.066 2.06397 2.0585 2.05446 2.05277 2.05329 2.04981 2.03391 2.01837 2.01517 2.02822 2.05509 2.08856 2.12225 2.15253 2.17781 2.19737 2.20828 2.20167 2.18189 2.15378 2.12413 2.09759 2.07423 2.05166 2.02766 1.99628 1.94735 1.87075 1.75927 1.60526 1.39742 1.1148 0.731895 0.15753 -0.963072 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.357394614546496e-19 2.880841738328064e-19 3.0262072231332484e-19 3.1071652077822723e-19 3.19722355563744e-19 3.28446207264e-19 3.3100968985728e-19 3.306844480032576e-19 3.2980805739168e-19 3.2916077803687683e-19 3.2889001018796165e-19 3.2897332337224323e-19 3.2841576590820482e-19 3.258683050811328e-19 3.2337852261240963e-19 3.228658260937536e-19 3.249566665838976e-19 3.292617151639872e-19 3.3462420031380484e-19 3.4002193334928003e-19 3.448733241570624e-19 3.4892362665444484e-19 3.520574841247296e-19 3.538054588180224e-19 3.527464200716736e-19 3.495773147157312e-19 3.450735962346624e-19 3.403231425539904e-19 3.360709658023872e-19 3.323282812161984e-19 3.287121685830528e-19 3.2486694469313284e-19 3.198393144570624e-19 3.11999864251488e-19 2.9972719133616e-19 2.818661263674816e-19 2.571910042305408e-19 2.2389136534383363e-19 1.7861064968678402e-19 1.172625057880416e-19 2.52390883074624e-20 -1.5430114425470978e-19 ] } }