{ "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" [ "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "a" { "source-value" [ 7.61529 7.105037 6.788803 6.559042 6.378478 6.229713 6.103207 5.993158 5.895772 5.808434 5.729263 5.656861 5.590161 5.528331 5.470708 5.416754 5.366032 5.318175 5.272876 5.229878 5.188956 5.149919 5.112603 5.07686 5.040726 5.00349 4.965081 4.925426 4.884438 4.842026 4.798088 4.752509 4.705162 4.655904 4.604575 4.550992 4.494949 4.436208 4.374498 4.309501 4.240847 4.168102 4.090745 4.008152 3.919563 3.824038 3.720399 3.607138 3.482284 3.343189 3.186182 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.61529e-10 7.105037e-10 6.788803e-10 6.559042e-10 6.378478e-10 6.229713000000001e-10 6.103207e-10 5.993158000000001e-10 5.895772e-10 5.808434e-10 5.729263000000001e-10 5.656861e-10 5.590161e-10 5.528331e-10 5.470708e-10 5.416754e-10 5.366032e-10 5.318175000000001e-10 5.272876e-10 5.229878000000001e-10 5.188956e-10 5.149919e-10 5.112603e-10 5.07686e-10 5.040726e-10 5.00349e-10 4.965081e-10 4.925426e-10 4.884438000000001e-10 4.842025999999999e-10 4.798088000000001e-10 4.752509e-10 4.705162e-10 4.6559039999999996e-10 4.6045749999999996e-10 4.550992e-10 4.4949490000000003e-10 4.436208e-10 4.374498e-10 4.3095010000000003e-10 4.240847e-10 4.1681020000000004e-10 4.090745e-10 4.008152e-10 3.919563e-10 3.824038e-10 3.720399e-10 3.607138e-10 3.482284e-10 3.3431890000000005e-10 3.1861820000000003e-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" [ 2.80702 3.36753 3.76636 4.13868 4.44191 4.65778 4.80913 4.9228 5.01329 5.0893 5.15475 5.21028 5.25708 5.29695 5.33168 5.36263 5.3907 5.41638 5.43979 5.46088 5.4794 5.49455 5.50483 5.50861 5.50382 5.48663 5.45287 5.40008 5.32948 5.24834 5.17157 5.07638 4.86937 4.5234 4.06064 3.50855 2.89124 2.21359 1.43025 0.557638 -0.589324 -2.69456 -7.40989 -18.5207 -44.5417 -104.431 -241.236 -557.187 -1311.47 -3219.42 -8463.07 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.49734185517068e-19 5.39537788029402e-19 6.03437398723224e-19 6.630896391603119e-19 7.11672441233094e-19 7.462586282312519e-19 7.705075715868419e-19 7.887195133855199e-19 8.032176097465859e-19 8.153957543416199e-19 8.258820004111499e-19 8.347788872597519e-19 8.422770739068719e-19 8.4866495214662995e-19 8.54229311596512e-19 8.59188048278742e-19 8.6368535809038e-19 8.67799747686492e-19 8.71550443186686e-19 8.74929433707792e-19 8.7789666483396e-19 8.8032396243447e-19 8.81971000014222e-19 8.82576622781874e-19 8.81809180174188e-19 8.790550385403419e-19 8.736460902239579e-19 8.65188199773072e-19 8.53876832737032e-19 8.4087677152875595e-19 8.28576861509538e-19 8.13325742130492e-19 7.801590836300579e-19 7.247285786235599e-19 6.50586252708576e-19 5.621316829220699e-19 4.63227717128616e-19 3.5465621752560595e-19 2.2915131307785e-19 8.934345738304919e-20 -9.442011426554159e-20 -4.31716107091104e-19 -1.187195261851026e-18 -2.96734327853238e-18 -7.13636709786378e-18 -1.67316908065254e-17 -3.86502682479624e-17 -8.92711992168558e-17 -2.10120659019198e-16 -5.158079499032279e-16 -1.3559333005906378e-15 ] } }