{ "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" [ 8.0142 7.477219 7.14442 6.902623 6.7126 6.556043 6.42291 6.307096 6.204609 6.112696 6.029378 5.953183 5.88299 5.817921 5.757278 5.700499 5.647119 5.596755 5.549084 5.503833 5.460768 5.419686 5.380415 5.3428 5.317193 5.290242 5.261799 5.23169 5.199705 5.165597 5.129063 5.089732 5.047138 5.000693 4.949628 4.892924 4.829177 4.756387 4.671558 4.569902 4.443048 4.27424 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.014200000000001e-10 7.477219e-10 7.144420000000001e-10 6.902623000000001e-10 6.7126e-10 6.556043e-10 6.42291e-10 6.307096e-10 6.204609e-10 6.112696e-10 6.029378e-10 5.953183e-10 5.88299e-10 5.817921000000001e-10 5.757278000000001e-10 5.700499e-10 5.647119e-10 5.596755e-10 5.549084e-10 5.503833e-10 5.460768000000001e-10 5.419686e-10 5.380415e-10 5.3428e-10 5.317193e-10 5.290242e-10 5.261799e-10 5.231690000000001e-10 5.199705e-10 5.165597e-10 5.129063000000001e-10 5.089732e-10 5.047138000000001e-10 5.000693e-10 4.949628e-10 4.892924e-10 4.829177e-10 4.756387e-10 4.671558000000001e-10 4.569902e-10 4.4430480000000004e-10 4.27424e-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" [ 1.82488 2.9591 3.67631 4.17888 4.55858 4.85885 5.10329 5.30611 5.47658 5.62108 5.74423 5.84947 5.93944 6.01623 6.08151 6.13663 6.18629 6.2665 6.30875 6.33311 6.35096 6.36318 6.37022 6.37249 6.37141 6.36788 6.36142 6.35138 6.33699 6.31721 6.29075 6.25585 6.2102 6.1506 6.07252 5.96945 5.8315 5.66377 5.39578 4.99946 4.37818 3.29654 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.923780071765504e-19 4.74100083860928e-19 5.890097932813248e-19 6.695303837128705e-19 7.303650300046465e-19 7.784735873974081e-19 8.176371927162433e-19 8.501325389393089e-19 8.774448437940865e-19 9.005962959646465e-19 9.203271010497984e-19 9.371884078070976e-19 9.516031908644352e-19 9.639063051355584e-19 9.743653141161407e-19 9.831965116499906e-19 9.911529207488832e-19 1.0040039794243201e-18 1.0107731756472e-18 1.0146760778954689e-18 1.0175359631635968e-18 1.0194938229942144e-18 1.0206217553352577e-18 1.0209854494281792e-18 1.020812414353133e-18 1.0202468460059906e-18 1.0192118399089537e-18 1.0176032545816705e-18 1.0152977224243392e-18 1.012128617068397e-18 1.00788925772976e-18 1.002297661323168e-18 9.949837250492162e-19 9.85434752389248e-19 9.729249573340417e-19 9.564113229034561e-19 9.3430929641952e-19 9.074359879588418e-19 8.6449925669802245e-19 8.010017928624769e-19 7.014617637654145e-19 5.281639317532032e-19 ] } }