{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.3033 4.947959 4.727732 4.567726 4.441981 4.33838 4.250281 4.173643 4.105823 4.045 3.989865 3.939444 3.892995 3.849936 3.809807 3.772233 3.73691 3.703582 3.672036 3.642092 3.613594 3.586409 3.560421 3.53553 3.518585 3.50075 3.481929 3.462004 3.440838 3.418268 3.394092 3.368064 3.339879 3.309144 3.275352 3.237829 3.195645 3.147477 3.091342 3.024071 2.940127 2.82842 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.303300000000001e-10 4.947959e-10 4.727732e-10 4.5677260000000007e-10 4.4419810000000004e-10 4.33838e-10 4.2502810000000005e-10 4.173643e-10 4.105823e-10 4.045e-10 3.989865e-10 3.939444e-10 3.8929950000000004e-10 3.849936e-10 3.8098070000000003e-10 3.772233e-10 3.73691e-10 3.703582e-10 3.672036e-10 3.642092e-10 3.613594e-10 3.5864090000000004e-10 3.560421e-10 3.53553e-10 3.518585e-10 3.50075e-10 3.481929e-10 3.462004e-10 3.440838e-10 3.418268e-10 3.394092e-10 3.368064e-10 3.339879e-10 3.309144e-10 3.275352e-10 3.2378290000000004e-10 3.195645e-10 3.147477e-10 3.091342e-10 3.0240710000000005e-10 2.940127e-10 2.82842e-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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2.17924 2.02007 1.84225 1.64266 1.41742 1.16168 0.869356 0.53256 0.14104 -0.318817 -0.86562 -1.52532 -2.33531 -3.35172 -4.6627 -6.41549 -8.87689 -12.5881 -18.8527 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.49152740787816e-19 3.23650895304438e-19 2.9516099039865e-19 2.63183146960644e-19 2.2709572045642795e-19 1.86121655218512e-19 1.392861869827704e-19 8.5325518820304e-20 2.2597099245935998e-20 -5.1080114792197797e-20 -1.3868761379230797e-19 -2.44383206337288e-19 -3.74157911514654e-19 -5.37004746771048e-19 -7.470468991351799e-19 -1.027874817366066e-18 -1.4222345740588258e-18 -2.01683596864554e-18 -3.0205355427811797e-18 ] } }