{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.59354 7.084745 6.769414 6.540309 6.36026 6.211921 6.085776 5.976041 5.878933 5.791845 5.7129 5.640704 5.574195 5.512542 5.455083 5.401283 5.350706 5.302985 5.257817 5.214941 5.174136 5.135211 5.098 5.06236 5.038097 5.012561 4.985611 4.957082 4.926777 4.894459 4.859843 4.822576 4.782218 4.73821 4.689826 4.636099 4.575698 4.506729 4.426352 4.330032 4.209837 4.04989 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.59354e-10 7.084745e-10 6.769414000000001e-10 6.540309e-10 6.360260000000001e-10 6.211921e-10 6.085776e-10 5.976041e-10 5.878933e-10 5.791845e-10 5.712900000000001e-10 5.640704e-10 5.574195e-10 5.512542e-10 5.455083e-10 5.401283000000001e-10 5.350706e-10 5.302985e-10 5.257817e-10 5.214941e-10 5.174136e-10 5.135211e-10 5.098e-10 5.06236e-10 5.038096999999999e-10 5.012561e-10 4.985611e-10 4.957082e-10 4.926777000000001e-10 4.894459e-10 4.859843e-10 4.822576e-10 4.782218000000001e-10 4.738209999999999e-10 4.689826000000001e-10 4.636099e-10 4.5756980000000004e-10 4.506729e-10 4.4263519999999995e-10 4.3300320000000004e-10 4.209837e-10 4.0498900000000006e-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" [ 1.69922 2.03301 2.27958 2.47594 2.63819 2.77517 2.89242 2.99366 3.08158 3.15818 3.22498 3.28114 3.30249 3.32014 3.34454 3.37196 3.39813 3.42076 3.43927 3.45388 3.46486 3.47244 3.47685 3.47828 3.4776 3.47534 3.47117 3.46466 3.45526 3.44225 3.42471 3.40137 3.35839 3.29598 3.22321 3.14017 3.03835 2.90149 2.7054 2.40761 1.91227 0.948258 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7224505800254797e-19 3.25724111868834e-19 3.65228981133372e-19 3.9668932151859596e-19 4.2268463740524595e-19 4.44631252937778e-19 4.634167739714279e-19 4.79637210214044e-19 4.93723547180172e-19 5.05996220196612e-19 5.16698760111732e-19 5.25696584088276e-19 5.29117231201866e-19 5.31945072960876e-19 5.35854383947836e-19 5.40247552278264e-19 5.44440448529442e-19 5.480661742521839e-19 5.51031803201718e-19 5.533725832639919e-19 5.55131773208124e-19 5.56346223096696e-19 5.5705278299229e-19 5.572818942509519e-19 5.5717294623984e-19 5.56810854320556e-19 5.561427466641779e-19 5.550997296754439e-19 5.53593683639484e-19 5.5150925183865e-19 5.48699034022614e-19 5.449595537588579e-19 5.38073398585926e-19 5.28074214213132e-19 5.16415174847514e-19 5.031107000787779e-19 4.8679733759138995e-19 4.64869948178466e-19 4.3345286656235997e-19 3.85741648578474e-19 3.06379431189918e-19 1.519276810603572e-19 ] } }