{ "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" [ 8.08728 7.545402 7.209568 6.965567 6.773811 6.615826 6.48148 6.364609 6.261188 6.168436 6.084358 6.007469 5.936636 5.870973 5.809778 5.752481 5.698614 5.647791 5.599685 5.554021 5.510563 5.469108 5.429478 5.39152 5.365679 5.338483 5.309781 5.279397 5.247121 5.212702 5.175835 5.136145 5.093163 5.046294 4.994765 4.937543 4.873215 4.799762 4.71416 4.611577 4.483567 4.31322 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.08728e-10 7.545402e-10 7.209568e-10 6.965567e-10 6.773811e-10 6.615826e-10 6.481480000000001e-10 6.364609e-10 6.261188e-10 6.168436e-10 6.084358e-10 6.007469000000001e-10 5.936636e-10 5.870973e-10 5.809778e-10 5.752481000000001e-10 5.698614000000001e-10 5.647791e-10 5.599685e-10 5.554021e-10 5.510563e-10 5.469108000000001e-10 5.429478e-10 5.39152e-10 5.365679e-10 5.338483e-10 5.309781000000001e-10 5.279397e-10 5.247121e-10 5.212702000000001e-10 5.175835000000001e-10 5.136145e-10 5.093163e-10 5.046294e-10 4.994765e-10 4.937543e-10 4.873215e-10 4.799762000000001e-10 4.71416e-10 4.611577e-10 4.483567e-10 4.3132200000000003e-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" [ 0.0173707 0.203245 0.395419 0.569022 0.720941 0.853229 0.968453 1.0624 1.13779 1.20014 1.25333 1.29989 1.34136 1.37852 1.41173 1.44107 1.46653 1.48809 1.50577 1.51965 1.52983 1.5366 1.5404 1.5416 1.54104 1.53925 1.536 1.53103 1.52405 1.51467 1.50243 1.48682 1.46719 1.44283 1.41293 1.37662 1.33294 1.28072 1.21804 1.14014 1.03439 0.860988 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.783092942693056e-21 3.25634387294496e-20 6.335310772201153e-20 9.116737451208577e-20 1.155074815176173e-19 1.3670235559885633e-19 1.5516327549436225e-19 1.7021524419379202e-19 1.8229405373800324e-19 1.922836249686912e-19 2.0080560241472643e-19 2.0826533676117121e-19 2.1490956320762883e-19 2.208632515305216e-19 2.261840800881984e-19 2.308848662936256e-19 2.349640079701824e-19 2.384183007646272e-19 2.4125094903020163e-19 2.43474770179872e-19 2.451057859798464e-19 2.46190459552128e-19 2.46799286668032e-19 2.46991547862528e-19 2.469018259717632e-19 2.4661503635664e-19 2.4609432895488e-19 2.452980471743424e-19 2.44179727893024e-19 2.4267688622271363e-19 2.407158220388544e-19 2.3821482433378564e-19 2.350697516271552e-19 2.3116684937888644e-19 2.263763412826944e-19 2.205588379725696e-19 2.135605304929152e-19 2.0519396417909762e-19 1.9515152111992321e-19 1.826705652438912e-19 1.657275474789312e-19 1.3794548443893504e-19 ] } }