{ "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" [ 5.41672 5.05378 4.828845 4.665417 4.536983 4.431168 4.341185 4.262907 4.193637 4.131514 4.0752 4.023701 3.976258 3.932279 3.891291 3.852915 3.816836 3.782796 3.750575 3.71999 3.690883 3.663117 3.636573 3.61115 3.593842 3.575627 3.556402 3.536052 3.514434 3.49138 3.466687 3.440103 3.411315 3.379923 3.345409 3.307083 3.263997 3.214799 3.157464 3.088755 3.003016 2.88892 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.41672e-10 5.053779999999999e-10 4.828845000000001e-10 4.665416999999999e-10 4.536983e-10 4.431168000000001e-10 4.3411850000000003e-10 4.2629070000000005e-10 4.193637e-10 4.1315140000000005e-10 4.0752e-10 4.023701e-10 3.976258e-10 3.932279e-10 3.891291e-10 3.852915e-10 3.816836e-10 3.782796e-10 3.750575e-10 3.7199900000000005e-10 3.690883e-10 3.663117e-10 3.636573e-10 3.61115e-10 3.593842e-10 3.575627e-10 3.556402e-10 3.5360520000000005e-10 3.5144340000000003e-10 3.4913800000000003e-10 3.466687e-10 3.4401030000000003e-10 3.411315e-10 3.379923e-10 3.3454090000000004e-10 3.307083e-10 3.263997e-10 3.2147990000000003e-10 3.157464e-10 3.088755e-10 3.0030160000000003e-10 2.8889200000000004e-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 0 0 0.149538 1.02212 1.96151 2.68018 3.15663 3.42768 3.56247 3.67432 3.77281 3.85932 3.93498 4.00072 4.05735 4.10556 4.14596 4.17906 4.20532 4.22517 4.23895 4.24701 4.24963 4.24837 4.24419 4.23645 4.22431 4.2067 4.18224 4.14909 4.1048 4.04602 3.96804 3.86395 3.70745 3.46763 3.11669 2.61687 1.90031 0.812815 -1.05896 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 2.3958628949509198e-20 1.6376167811440797e-19 3.1426854893573397e-19 4.29412177091412e-19 5.057478828183419e-19 5.49174880482912e-19 5.707706193325979e-19 5.886909649838879e-19 6.04470802652154e-19 6.183312327128879e-19 6.304533011257319e-19 6.40986010317648e-19 6.5005913659598985e-19 6.577832301485039e-19 6.642560237498639e-19 6.69559228408404e-19 6.73766544249288e-19 6.76946864867778e-19 6.791546642694299e-19 6.80446018636434e-19 6.808657889145419e-19 6.80663914658658e-19 6.799942048256459e-19 6.787541201109299e-19 6.76809077677254e-19 6.739876446247799e-19 6.70068720578016e-19 6.64757505036306e-19 6.5766146472432e-19 6.48243870469668e-19 6.357500970777359e-19 6.1907304049443e-19 5.9399897617233e-19 5.55575576135742e-19 4.99348789342146e-19 4.19268796821558e-19 3.0446322793565396e-19 1.3022732007647098e-19 -1.6966409683406397e-19 ] } }