{ "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" [ 2.722450557595776e-19 3.2572410918526083e-19 3.6522897812432645e-19 3.9668931825035524e-19 4.226846339228352e-19 4.446312492745537e-19 4.634167701534336e-19 4.796372062624129e-19 4.937235431124865e-19 5.059962160278145e-19 5.166987558547584e-19 5.256965797571713e-19 5.291172268425792e-19 5.319450685782912e-19 5.358543795330432e-19 5.402475478272768e-19 5.444404440439105e-19 5.480661697367808e-19 5.510317986618816e-19 5.5337257870487045e-19 5.551317686345088e-19 5.563462185130753e-19 5.570527784028481e-19 5.572818896596224e-19 5.57172941649408e-19 5.568108497331072e-19 5.561427420822336e-19 5.550997251020928e-19 5.535936790785408e-19 5.5150924729488e-19 5.486990295019969e-19 5.449595492690496e-19 5.380733941528512e-19 5.280742098624385e-19 5.164151705928768e-19 5.031106959337537e-19 4.8679733358076805e-19 4.648699443484992e-19 4.33452862991232e-19 3.857416454004288e-19 3.063794286657216e-19 1.5192767980865666e-19 ] } }