{ "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" [ "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 6.61082 6.16787 5.893347 5.693892 5.537144 5.408002 5.298182 5.202648 5.118107 5.042289 4.973561 4.910709 4.852807 4.799132 4.749109 4.702272 4.65824 4.616695 4.577372 4.540044 4.50452 4.470633 4.438238 4.40721 4.386087 4.363856 4.340394 4.315557 4.289173 4.261038 4.230902 4.198458 4.163323 4.125011 4.082888 4.036114 3.98353 3.923487 3.853512 3.769657 3.665017 3.52577 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.610820000000001e-10 6.16787e-10 5.893347e-10 5.693892e-10 5.537144e-10 5.408002e-10 5.298182e-10 5.202648e-10 5.118107e-10 5.042289000000001e-10 4.973561e-10 4.910709e-10 4.852807e-10 4.799132e-10 4.749109e-10 4.702272e-10 4.65824e-10 4.616695e-10 4.5773720000000005e-10 4.540044e-10 4.5045200000000005e-10 4.470633e-10 4.4382380000000005e-10 4.40721e-10 4.386087e-10 4.363856e-10 4.340394e-10 4.3155570000000003e-10 4.289173e-10 4.2610380000000003e-10 4.2309020000000005e-10 4.1984579999999996e-10 4.163323e-10 4.125011e-10 4.0828879999999997e-10 4.0361140000000005e-10 3.98353e-10 3.9234870000000005e-10 3.853512e-10 3.769657e-10 3.6650170000000005e-10 3.52577e-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" [ 0.174811 0.216122 0.325159 0.427937 0.499874 0.546577 0.578094 0.602831 0.625516 0.64671 0.665765 0.682022 0.753459 0.862292 0.93825 0.990716 1.02661 1.0513 1.06861 1.08073 1.0892 1.09501 1.09858 1.09987 1.09924 1.09721 1.0935 1.08782 1.07981 1.06905 1.05505 1.03708 1.01388 0.983453 0.943048 0.888517 0.813558 0.705733 0.536758 0.252465 -0.220004 -1.02829 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.800780972586688e-20 3.462656156405376e-20 5.209621478427072e-20 6.856306565752896e-20 8.008864361457792e-20 8.757128908670016e-20 9.262086914247552e-20 9.658417344934849e-20 1.0021871111363328e-19 1.036143642437568e-19 1.0666731179469122e-19 1.0927197032712576e-19 1.2071743945313474e-19 1.3815440827028737e-19 1.5032422144656002e-19 1.587302013052493e-19 1.6448105406794881e-19 1.6843682814470398e-19 1.7121019587530882e-19 1.731520339397184e-19 1.74509077537536e-19 1.7543994215422082e-19 1.760119192078464e-19 1.7621859999192958e-19 1.761176628648192e-19 1.7579242101079681e-19 1.7519801348448e-19 1.7428797716386562e-19 1.730046336906048e-19 1.7128069164662402e-19 1.6903764437750402e-19 1.661585329899264e-19 1.624414832296704e-19 1.5756654042556224e-19 1.5109294578921985e-19 1.4235611645833536e-19 1.3034636072648064e-19 1.1307089131270467e-19 8.599811186273664e-20 4.04493520570272e-20 -3.5248526528248325e-20 -1.6475021974024319e-19 ] } }