{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.44264 5.077964 4.851952 4.687742 4.558693 4.452372 4.361958 4.283306 4.213705 4.151284 4.094701 4.042955 3.995285 3.951095 3.909912 3.871352 3.8351 3.800897 3.768523 3.737791 3.708545 3.680645 3.653975 3.62843 3.602605 3.575992 3.548542 3.5202 3.490906 3.460594 3.429191 3.396616 3.362777 3.327572 3.290887 3.252591 3.212537 3.170555 3.12645 3.079997 3.03093 2.978939 2.923652 2.864623 2.801308 2.733036 2.658965 2.578017 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.44264e-10 5.077964e-10 4.851952e-10 4.687742e-10 4.558693e-10 4.4523720000000004e-10 4.3619579999999996e-10 4.283306e-10 4.213705e-10 4.1512840000000005e-10 4.0947009999999996e-10 4.042955e-10 3.995285e-10 3.9510950000000004e-10 3.909912e-10 3.871352e-10 3.8351000000000005e-10 3.8008970000000004e-10 3.768523e-10 3.737791e-10 3.708545e-10 3.680645e-10 3.6539750000000003e-10 3.62843e-10 3.602605e-10 3.575992e-10 3.548542e-10 3.5202e-10 3.490906e-10 3.460594e-10 3.429191e-10 3.396616e-10 3.362777e-10 3.3275720000000003e-10 3.2908870000000005e-10 3.252591e-10 3.2125370000000004e-10 3.170555e-10 3.12645e-10 3.0799970000000003e-10 3.03093e-10 2.978939e-10 2.923652e-10 2.864623e-10 2.8013080000000004e-10 2.733036e-10 2.658965e-10 2.578017e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0163715 0.151878 0.539489 1.12823 1.7304 2.23993 2.64618 2.96831 3.2256 3.43236 3.59892 3.7331 3.84101 3.92749 3.9964 4.05083 4.09329 4.12583 4.15023 4.16801 4.18055 4.18907 4.19407 4.19571 4.19393 4.18816 4.17762 4.16139 4.13835 4.10703 4.06561 4.01166 3.94199 3.85226 3.73656 3.58696 3.39287 3.14038 2.81134 2.38212 1.82158 1.08849 0.127825 -1.13417 -2.7993 -5.02157 -8.0666 -12.4139 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6230034763531e-21 2.43335382818652e-20 8.643566701000259e-20 1.80762374377782e-19 2.7724064474735995e-19 3.5887635077956203e-19 4.23964776535812e-19 4.755756924468539e-19 5.167980950630399e-19 5.499246991476239e-19 5.76610553163528e-19 5.9810855923854e-19 6.15397647296034e-19 6.29253270826866e-19 6.4029387001176e-19 6.4901451743062205e-19 6.558173594185859e-19 6.610308421856219e-19 6.649401531725819e-19 6.677888232278339e-19 6.6979795272687e-19 6.711630072190379e-19 6.719640955360379e-19 6.722268525040139e-19 6.719416650631619e-19 6.710172091453439e-19 6.69328514973108e-19 6.667281822961259e-19 6.6303676733139e-19 6.58018750113702e-19 6.51382534495674e-19 6.427387915552439e-19 6.315764269461659e-19 6.172000960092839e-19 5.98662912353904e-19 5.746943499092639e-19 5.43597703619958e-19 5.03144345788092e-19 4.50426325822956e-19 3.8165770033840796e-19 2.9184929129617196e-19 1.74395324434266e-19 2.0479822824104996e-20 -1.8171406729837798e-19 -4.4849730515562e-19 -8.045442119995379e-19 -1.2924118035824398e-18 -1.98892605168126e-18 ] } }