{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.35093 4.992399 4.770195 4.608753 4.481878 4.377348 4.288458 4.211131 4.142703 4.081334 4.025704 3.97483 3.927964 3.884518 3.844029 3.806118 3.770478 3.736851 3.705022 3.674809 3.646055 3.618626 3.592405 3.56729 3.550192 3.532198 3.513207 3.493103 3.471748 3.448975 3.424581 3.39832 3.369882 3.338871 3.304776 3.266915 3.224352 3.175752 3.119113 3.051238 2.96654 2.85383 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.35093e-10 4.992399e-10 4.770195e-10 4.608753e-10 4.481878e-10 4.377348e-10 4.2884580000000003e-10 4.211131e-10 4.142703e-10 4.081334e-10 4.025704e-10 3.97483e-10 3.927964e-10 3.884518e-10 3.8440290000000003e-10 3.8061180000000005e-10 3.7704780000000003e-10 3.736851e-10 3.7050220000000004e-10 3.6748090000000004e-10 3.646055e-10 3.618626e-10 3.592405e-10 3.56729e-10 3.5501920000000003e-10 3.5321980000000004e-10 3.513207e-10 3.493103e-10 3.471748e-10 3.448975e-10 3.424581e-10 3.39832e-10 3.3698820000000004e-10 3.3388710000000003e-10 3.304776e-10 3.266915e-10 3.2243520000000005e-10 3.175752e-10 3.119113e-10 3.051238e-10 2.9665400000000004e-10 2.85383e-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" [ 1.24051 2.41939 3.29574 3.9841 4.54215 5.00369 5.39057 5.71781 5.99629 6.23415 6.43766 6.61179 6.76051 6.88709 6.99422 7.08418 7.15886 7.21993 7.26878 7.30666 7.33463 7.35362 7.36449 7.36796 7.36632 7.36101 7.35132 7.33639 7.31516 7.28628 7.24806 7.19829 7.1341 7.05167 6.9458 6.80922 6.63156 6.39737 6.0827 5.64847 5.02658 4.08971 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.987516119868608e-19 3.876290094597312e-19 5.2803575762353925e-19 6.38323187492928e-19 7.277326538166721e-19 8.016795135730752e-19 8.636645226785857e-19 9.160941504176448e-19 9.607115649536833e-19 9.98820938056032e-19 1.0314268344659329e-18 1.0593255359639232e-18 1.0831531066684608e-18 1.1034334583345472e-18 1.1205975764731777e-18 1.1350107573538945e-18 1.1469758123580288e-18 1.1567603049812543e-18 1.1645869377738625e-18 1.1706559828134528e-18 1.1751372708218304e-18 1.1781798042247297e-18 1.1799213702115393e-18 1.1804773254989569e-18 1.1802145685331456e-18 1.179363812747501e-18 1.1778113036019457e-18 1.1754192539070913e-18 1.1720178329411328e-18 1.1673907468602625e-18 1.1612672278155648e-18 1.1532931947738434e-18 1.1430088230449281e-18 1.1298020811596737e-18 1.1128398372752642e-18 1.0909573089883775e-18 1.0624930391432449e-18 1.0249716648607295e-18 9.74555973134016e-19 9.049846577290175e-19 8.053468958580865e-19 6.552437747851969e-19 ] } }