{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.28298 3.996005 3.818149 3.688927 3.587374 3.503706 3.432557 3.370663 3.315891 3.266771 3.222243 3.181523 3.14401 3.109236 3.076827 3.046483 3.017955 2.99104 2.965563 2.94138 2.918365 2.89641 2.875422 2.85532 2.834998 2.814055 2.792454 2.77015 2.747098 2.723245 2.698534 2.672899 2.64627 2.618567 2.589698 2.559562 2.528042 2.495006 2.460298 2.423743 2.385131 2.344217 2.30071 2.254259 2.204435 2.15071 2.092421 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2829800000000004e-10 3.996005e-10 3.818149e-10 3.6889270000000004e-10 3.5873740000000004e-10 3.5037060000000004e-10 3.4325570000000004e-10 3.370663e-10 3.315891e-10 3.266771e-10 3.2222430000000003e-10 3.181523e-10 3.1440100000000003e-10 3.109236e-10 3.0768270000000005e-10 3.046483e-10 3.0179550000000005e-10 2.99104e-10 2.965563e-10 2.94138e-10 2.918365e-10 2.89641e-10 2.875422e-10 2.85532e-10 2.8349980000000004e-10 2.8140550000000003e-10 2.792454e-10 2.77015e-10 2.747098e-10 2.723245e-10 2.698534e-10 2.6728990000000003e-10 2.64627e-10 2.618567e-10 2.5896979999999997e-10 2.5595620000000004e-10 2.5280420000000004e-10 2.495006e-10 2.460298e-10 2.423743e-10 2.385131e-10 2.3442170000000003e-10 2.3007100000000002e-10 2.2542589999999998e-10 2.2044350000000002e-10 2.1507100000000002e-10 2.092421e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.835776 1.37578 1.81986 2.21186 2.52894 2.781 2.98194 3.14652 3.28795 3.4141 3.52749 3.62839 3.71697 3.7938 3.85988 3.91673 3.96564 4.00766 4.04325 4.07234 4.09477 4.11049 4.11956 4.12244 4.11948 4.11023 4.09415 4.07061 4.03868 3.99697 3.94374 3.87709 3.7952 3.69465 3.56943 3.41275 3.21529 2.9701 2.6756 2.33357 1.94803 1.52389 1.06473 0.471946 -0.395992 -1.67243 -3.474 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3390607784579838e-19 2.2042425695245197e-19 2.91573716915124e-19 3.54379040967924e-19 4.05180857678796e-19 4.455653219154e-19 4.77759459198996e-19 5.04128082241368e-19 5.267876663760299e-19 5.469991246139399e-19 5.6516620546686595e-19 5.81332167703926e-19 5.955242483278979e-19 6.0783377140692e-19 6.184209546043919e-19 6.275293287686819e-19 6.35365574685576e-19 6.420979209016439e-19 6.478000675420499e-19 6.524607993703559e-19 6.560544815604179e-19 6.585731032290661e-19 6.600262774361039e-19 6.604877043066959e-19 6.60013460023032e-19 6.585314466365819e-19 6.5595514660911e-19 6.52183622812674e-19 6.47067872820312e-19 6.403851940798979e-19 6.31856807857116e-19 6.211783005915059e-19 6.080580761356799e-19 5.919481900808099e-19 5.71885734269862e-19 5.4678283076835e-19 5.15146250953386e-19 4.758624820643399e-19 4.2867838019304e-19 3.7387913278033796e-19 3.1210881483310196e-19 2.4415409507862597e-19 1.7058855275188197e-19 7.56140853709764e-20 -6.34449129650928e-20 -2.67952826800062e-19 -5.565961626516e-19 ] } }