{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 2.92026 2.724592 2.603324 2.515217 2.445976 2.388928 2.340417 2.298216 2.260871 2.227379 2.197019 2.169255 2.143677 2.119967 2.09787 2.07718 2.05773 2.039378 2.022007 2.005518 1.989826 1.974856 1.960546 1.94684 1.932984 1.918704 1.903976 1.888769 1.873051 1.856788 1.839938 1.82246 1.804304 1.785415 1.765731 1.745184 1.723693 1.701167 1.677503 1.652578 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.92026e-10 2.724592e-10 2.603324e-10 2.515217e-10 2.445976e-10 2.388928e-10 2.340417e-10 2.298216e-10 2.260871e-10 2.227379e-10 2.197019e-10 2.1692550000000003e-10 2.143677e-10 2.119967e-10 2.09787e-10 2.07718e-10 2.05773e-10 2.0393780000000002e-10 2.022007e-10 2.005518e-10 1.9898260000000002e-10 1.974856e-10 1.960546e-10 1.94684e-10 1.932984e-10 1.918704e-10 1.903976e-10 1.888769e-10 1.873051e-10 1.8567880000000003e-10 1.8399380000000002e-10 1.82246e-10 1.804304e-10 1.785415e-10 1.765731e-10 1.7451840000000002e-10 1.723693e-10 1.701167e-10 1.677503e-10 1.6525780000000003e-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" [ 22.3049 27.9178 35.1015 43.0627 51.0887 58.8817 66.1627 72.8636 78.9857 84.5331 89.4788 93.7875 97.4649 100.575 103.201 105.421 107.295 108.85 110.111 111.1 111.841 112.352 112.649 112.745 112.641 112.299 111.667 110.682 109.279 107.396 104.969 101.92 98.1378 93.4786 87.7857 80.902 72.664 62.8711 51.2352 37.3042 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.57363896037066e-18 4.47292468326852e-18 5.6238803118351e-18 6.899405173695179e-18 8.18531214014358e-18 9.43388839101978e-18 1.0600433198235179e-17 1.167403573891224e-17 1.2654904296013379e-17 1.354369576195854e-17 1.433608425983592e-17 1.50264141061275e-17 1.561559854151466e-17 1.6113891496455e-17 1.65346230805434e-17 1.68903062932914e-17 1.7190554194503e-17 1.7439692661089997e-17 1.76417271346374e-17 1.780018240374e-17 1.7918903692319397e-17 1.80007749183168e-17 1.80483595643466e-17 1.8063740460033e-17 1.8047077823039398e-17 1.79922833821566e-17 1.78910258188878e-17 1.77332114204388e-17 1.75084260386886e-17 1.7206736178506398e-17 1.68178879094346e-17 1.6329384253728e-17 1.572340900721652e-17 1.497692286990324e-17 1.406481973393338e-17 1.2961929404386799e-17 1.1642056293297599e-17 1.0073060737387739e-17 8.208784027831679e-18 5.9767917590062796e-18 ] } }