{ "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 2.3958628752119043e-20 1.637616767652096e-19 3.142685463465408e-19 4.2941217355357444e-19 5.057478786515904e-19 5.491748759583744e-19 5.707706146301376e-19 5.886909601337856e-19 6.044707976720449e-19 6.183312276185856e-19 6.304532959315585e-19 6.409860050366977e-19 6.50059131240288e-19 6.577832247291648e-19 6.642560182771968e-19 6.695592228920448e-19 6.737665386982657e-19 6.769468592905537e-19 6.79154658674016e-19 6.804460130303809e-19 6.808657833050304e-19 6.806639090508097e-19 6.799941992233152e-19 6.78754114518816e-19 6.768090721011649e-19 6.73987639071936e-19 6.700687150574593e-19 6.647574995595072e-19 6.576614593059841e-19 6.482438651289217e-19 6.357500918399232e-19 6.19073035394016e-19 5.939989712784961e-19 5.555755715584705e-19 4.993487852281152e-19 4.1926879336728964e-19 3.044632254272448e-19 1.302273190035552e-19 -1.696640954362368e-19 ] } }