{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" ] } "a" { "source-value" [ 14.6767 13.693308 13.08384 12.64103 12.293034 12.006325 11.762515 11.55042 11.362732 11.194408 11.041824 10.902286 10.773738 10.654575 10.543519 10.439537 10.341781 10.249547 10.162246 10.079376 10.000508 9.925275 9.853355 9.78447 9.71483 9.643066 9.569043 9.492616 9.413622 9.331883 9.247202 9.159359 9.068109 8.973176 8.87425 8.770982 8.662972 8.549763 8.430831 8.305564 8.173251 8.033051 7.883963 7.724785 7.554051 7.369949 7.170209 6.951925 6.711297 6.443224 6.140631 5.793293 5.385642 4.89224 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.4676700000000002e-09 1.3693308000000001e-09 1.308384e-09 1.2641030000000001e-09 1.2293034000000001e-09 1.2006325e-09 1.1762515e-09 1.1550420000000002e-09 1.1362732e-09 1.1194408e-09 1.1041824000000002e-09 1.0902286e-09 1.0773738e-09 1.0654575e-09 1.0543519e-09 1.0439537e-09 1.0341781e-09 1.0249547000000001e-09 1.0162246e-09 1.0079376e-09 1.0000508000000001e-09 9.925275e-10 9.853355e-10 9.784470000000001e-10 9.71483e-10 9.643066e-10 9.569043e-10 9.492616e-10 9.413622e-10 9.331883e-10 9.247202e-10 9.159359000000001e-10 9.068109e-10 8.973176000000001e-10 8.874250000000001e-10 8.770982e-10 8.662972e-10 8.549763e-10 8.430831e-10 8.305564000000001e-10 8.173251000000001e-10 8.033051000000001e-10 7.883962999999999e-10 7.724785e-10 7.554051000000001e-10 7.369949000000001e-10 7.170209e-10 6.951925e-10 6.711297e-10 6.443224e-10 6.140631e-10 5.793293000000001e-10 5.385642e-10 4.89224e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.234285 0.351179 0.453914 0.548074 0.636087 0.718534 0.796311 0.869421 0.938096 1.00247 1.0627 1.11888 1.17088 1.21866 1.26237 1.30195 1.33715 1.36792 1.39417 1.41582 1.43277 1.44493 1.45242 1.45495 1.45209 1.44255 1.42455 1.39599 1.35391 1.29464 1.21344 1.10415 0.958655 0.766267 0.512463 0.17764 -0.264868 -0.85307 -1.64039 -2.70337 -4.15576 -6.16848 -9.00739 -13.0953 -19.1302 -28.3122 -42.8036 -66.736 -108.566 -187.182 -349.708 -732.285 -1816.69 -5904.21 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.7536595269668995e-20 5.62650788151486e-20 7.272504046454759e-20 8.781113565029159e-20 1.0191237285911579e-19 1.151218385534556e-19 1.275830877597174e-19 1.3929660113089138e-19 1.502995491648864e-19 1.6061340102859798e-19 1.7026331089518e-19 1.79264339224992e-19 1.8759565772179197e-19 1.95250857679044e-19 2.0225397174625799e-19 2.0859538686362998e-19 2.1423504861531e-19 2.19164946118128e-19 2.23370659782378e-19 2.26839372194988e-19 2.29555061589618e-19 2.31503308376562e-19 2.32703338675428e-19 2.3310868936383e-19 2.32650466846506e-19 2.3112199033767e-19 2.2823807239647e-19 2.23662255929766e-19 2.1692029665389396e-19 2.0742419574417598e-19 1.94414521476096e-19 1.7690433304310998e-19 1.53593464106727e-19 1.227695082805278e-19 8.21056244389542e-20 2.8461065726376e-20 -4.2436532069431195e-20 -1.3667688211663799e-19 -2.62819452864726e-19 -4.33127624705658e-19 -6.65826156851184e-19 -9.882994523296318e-19 -1.4431429791325258e-18 -2.09809836752202e-18 -3.0649959443746796e-18 -4.53611452971348e-18 -6.85789277710824e-18 -1.06922859846624e-17 -1.73941908446844e-17 -2.9989862670538793e-17 -5.60293986322872e-17 -1.17324991642869e-16 -2.91065826922146e-16 -9.45958730422914e-16 ] } }