{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.88291 8.287722 7.918849 7.650842 7.440222 7.266694 7.11913 6.990762 6.877166 6.77529 6.68294 6.598486 6.520684 6.448562 6.381346 6.318412 6.259246 6.203423 6.150585 6.100428 6.052695 6.007161 5.963632 5.92194 5.879791 5.836356 5.791555 5.745298 5.697488 5.648017 5.596765 5.543598 5.48837 5.430913 5.371039 5.308537 5.243165 5.174647 5.102664 5.026848 4.946767 4.861912 4.771679 4.675338 4.572002 4.460577 4.339687 4.207572 4.061935 3.899687 3.716545 3.506322 3.259596 2.96097 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.882910000000002e-10 8.287722000000001e-10 7.918849e-10 7.650842e-10 7.440222000000001e-10 7.266694e-10 7.11913e-10 6.990762000000001e-10 6.877166e-10 6.77529e-10 6.68294e-10 6.598486e-10 6.520684e-10 6.448562e-10 6.381346e-10 6.318412e-10 6.259246000000001e-10 6.203423000000001e-10 6.150585000000001e-10 6.100428000000001e-10 6.052695e-10 6.007161000000001e-10 5.963632e-10 5.92194e-10 5.879791e-10 5.836356e-10 5.791555e-10 5.745298e-10 5.697488000000001e-10 5.648017000000001e-10 5.596765000000001e-10 5.543598000000001e-10 5.48837e-10 5.430913e-10 5.371038999999999e-10 5.308537e-10 5.243165e-10 5.174647e-10 5.102664e-10 5.026848e-10 4.946767000000001e-10 4.861912e-10 4.771679e-10 4.675338e-10 4.5720020000000005e-10 4.460577e-10 4.339687e-10 4.207572e-10 4.061935e-10 3.8996870000000005e-10 3.716545e-10 3.506322e-10 3.259596e-10 2.96097e-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" [ 0.330226 0.653036 0.882811 1.06602 1.22006 1.35337 1.47087 1.57488 1.667 1.74877 1.82151 1.88637 1.94434 1.99623 2.04274 2.08447 2.12194 2.15535 2.18424 2.20815 2.22683 2.24017 2.24814 2.25077 2.24796 2.24023 2.22952 2.21819 2.20909 2.204 2.20264 2.20443 2.20863 2.21423 2.21998 2.22417 2.22314 2.21056 2.17809 2.11548 2.01781 1.90161 1.785 1.66468 1.53024 1.36607 1.14657 0.813954 0.288281 -0.475654 -1.69666 -3.49942 -6.9859 -13.4603 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.29080381139284e-20 1.0462790203608238e-19 1.414419156438174e-19 1.70795233537668e-19 1.9547516240780396e-19 2.1683377911565798e-19 2.3565935456515796e-19 2.52323593735392e-19 2.670828448878e-19 2.80183843224018e-19 2.9183807605973396e-19 3.02229793707858e-19 3.1151761165515597e-19 3.1983130620898195e-19 3.272830297337159e-19 3.33968912827398e-19 3.39972268674996e-19 3.4532514080918995e-19 3.49953829104816e-19 3.5378463343670993e-19 3.56777499389022e-19 3.5891480301877796e-19 3.6019173779607595e-19 3.60613110250818e-19 3.60162898616664e-19 3.5892441607858196e-19 3.5720848490356795e-19 3.55393218777246e-19 3.53935238040306e-19 3.531197301336e-19 3.52901834111376e-19 3.5318862372886196e-19 3.53861537915142e-19 3.54758756830182e-19 3.55680008394732e-19 3.5635132040437796e-19 3.5618629621107595e-19 3.54170758005504e-19 3.48968490474906e-19 3.3893726256943194e-19 3.2328880338515397e-19 3.0467151089807397e-19 2.85988529169e-19 2.6671113990871196e-19 2.45171477241216e-19 2.18868543440838e-19 1.83700766324538e-19 1.3040980799508358e-19 4.61877082226154e-20 -7.62081724668636e-20 -2.71834900784244e-19 -5.60668895655228e-19 -1.11926457474606e-18 -2.15657781466302e-18 ] } }