{ "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" [ "Cm" "Cm" "Cm" "Cm" "Cm" "Cm" "Cm" "Cm" ] } "a" { "source-value" [ 11.2744 10.518974 10.050791 9.710632 9.443308 9.223062 9.035771 8.872843 8.728664 8.599361 8.482148 8.374958 8.27621 8.18467 8.099359 8.019481 7.944387 7.873535 7.806471 7.742812 7.682227 7.624434 7.569187 7.51627 7.480246 7.442332 7.402318 7.35996 7.314964 7.266981 7.215585 7.160254 7.100333 7.034994 6.963156 6.883385 6.793706 6.691305 6.571967 6.428957 6.250499 6.01302 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.12744e-09 1.0518974e-09 1.0050791000000001e-09 9.710632000000001e-10 9.443308e-10 9.223062000000001e-10 9.035771000000001e-10 8.872843e-10 8.728664000000001e-10 8.599361e-10 8.482148000000001e-10 8.374958e-10 8.276210000000001e-10 8.18467e-10 8.099359e-10 8.019481000000001e-10 7.944387e-10 7.873535000000001e-10 7.806471e-10 7.742812e-10 7.682227e-10 7.624434000000001e-10 7.569187000000001e-10 7.51627e-10 7.480246000000001e-10 7.442332000000001e-10 7.402318000000001e-10 7.35996e-10 7.314964e-10 7.266981000000001e-10 7.215585e-10 7.160254e-10 7.100333e-10 7.034994e-10 6.963156e-10 6.883385e-10 6.793706000000001e-10 6.691305e-10 6.571967e-10 6.428957e-10 6.250499e-10 6.01302e-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" [ 0.945414 1.41712 1.83169 2.21166 2.56681 2.89952 3.21337 3.5084 3.78552 4.0453 4.28832 4.51504 4.72486 4.91768 5.09408 5.25378 5.39585 5.52001 5.62593 5.71328 5.78169 5.83076 5.86098 5.87119 5.86606 5.84877 5.81585 5.76273 5.68354 5.56978 5.40975 5.18709 4.87811 4.44769 3.84185 2.97498 1.70268 -0.230087 -3.31486 -8.60098 -18.6757 -41.6193 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5147202077770114e-19 2.270476532868096e-19 2.934690894553152e-19 3.5434699451585284e-19 4.1124829720356477e-19 4.645543155542016e-19 5.148386287980096e-19 5.621076456414721e-19 6.065071641570816e-19 6.48128508412224e-19 6.870646046509056e-19 7.233891529976832e-19 7.570060228553087e-19 7.878991924575744e-19 8.161615880484864e-19 8.417483486826625e-19 8.6451047193436805e-19 8.844030968582208e-19 9.013733516257345e-19 9.153683644084224e-19 9.263288546713152e-19 9.341907353495808e-19 9.390325130976384e-19 9.406683354274754e-19 9.398464188210048e-19 9.370762554436416e-19 9.318018900079681e-19 9.232911277982786e-19 9.106034911381633e-19 8.923771298999425e-19 8.667374974372801e-19 8.310634327985473e-19 7.815593795690689e-19 7.125984934565952e-19 6.15532225062048e-19 4.766443403347584e-19 2.727994088703744e-19 -3.686400121500096e-20 -5.310991193225088e-19 -1.3780289071968385e-18 -2.992176991707456e-18 -6.668146943406145e-18 ] } }