{ "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" [ 5.24805 4.896411 4.67848 4.520141 4.395705 4.293185 4.206004 4.130163 4.06305 4.002862 3.948301 3.898406 3.85244 3.80983 3.770119 3.732937 3.697982 3.665001 3.633784 3.604152 3.57595 3.549049 3.523332 3.4987 3.481931 3.464283 3.445657 3.42594 3.404995 3.38266 3.358736 3.33298 3.305088 3.274673 3.241234 3.204101 3.162357 3.114691 3.059141 2.992572 2.909503 2.79896 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.24805e-10 4.896411e-10 4.678480000000001e-10 4.520141e-10 4.3957050000000007e-10 4.2931850000000006e-10 4.206004e-10 4.130163e-10 4.0630499999999997e-10 4.0028620000000005e-10 3.948301e-10 3.898406e-10 3.8524400000000004e-10 3.80983e-10 3.770119e-10 3.7329370000000005e-10 3.697982e-10 3.665001e-10 3.633784e-10 3.604152e-10 3.5759500000000005e-10 3.5490490000000005e-10 3.523332e-10 3.4987e-10 3.481931e-10 3.464283e-10 3.4456570000000006e-10 3.4259400000000004e-10 3.404995e-10 3.3826600000000003e-10 3.358736e-10 3.33298e-10 3.305088e-10 3.274673e-10 3.241234e-10 3.204101e-10 3.162357e-10 3.1146910000000003e-10 3.059141e-10 2.992572e-10 2.909503e-10 2.79896e-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" [ 1.55786 2.34236 2.75079 3.06471 3.28206 3.42422 3.51921 3.5865 3.63779 3.68054 3.71975 3.75976 3.80547 3.8594 3.91663 3.96931 4.01281 4.04635 4.07129 4.08933 4.10193 4.11022 4.11502 4.11663 4.11581 4.11304 4.10768 4.09886 4.08553 4.06636 4.03829 3.99578 3.93091 3.83428 3.69271 3.48347 3.17801 2.74226 2.10795 1.25971 0.0789029 -1.81483 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.49596689104324e-19 3.75287446041624e-19 4.40725146304086e-19 4.910206751986139e-19 5.25843984338604e-19 5.48620527367548e-19 5.63839603213914e-19 5.746206497840999e-19 5.828382137398859e-19 5.89687518850236e-19 5.959696534321499e-19 6.023799621447839e-19 6.09703511538798e-19 6.1834405012596e-19 6.27513307002342e-19 6.35953573510254e-19 6.429230418681539e-19 6.4829674229859e-19 6.52292570823786e-19 6.5518289747152205e-19 6.5720164003036205e-19 6.58529844459948e-19 6.59298889244268e-19 6.595568396823419e-19 6.594254611983539e-19 6.589816582707359e-19 6.58122891594912e-19 6.56709771803724e-19 6.54574070350602e-19 6.51502697743224e-19 6.470053879315859e-19 6.401945350604519e-19 6.298012152356939e-19 6.14319382421352e-19 5.916373678138139e-19 5.581134239239979e-19 5.09173336461834e-19 4.39358489635284e-19 3.3773082356403003e-19 2.01827792761614e-19 1.2641638273483859e-20 -2.90767822068222e-19 ] } }