{ "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" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" ] } "a" { "source-value" [ 11.7992 11.008605 10.518626 10.16263 9.882861 9.652362 9.456352 9.285839 9.134948 8.999624 8.876955 8.764774 8.661429 8.565628 8.476345 8.392748 8.314158 8.240007 8.169821 8.103198 8.039793 7.97931 7.92149 7.86611 7.810124 7.752429 7.69292 7.631477 7.56797 7.502257 7.434179 7.363558 7.290199 7.213878 7.134348 7.051326 6.964493 6.87348 6.777865 6.677158 6.570786 6.458074 6.338216 6.210247 6.072986 5.92498 5.764401 5.588913 5.395463 5.179949 4.936681 4.657442 4.329716 3.93305 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.1799200000000002e-09 1.1008605e-09 1.0518626e-09 1.016263e-09 9.882861000000001e-10 9.652362e-10 9.456352000000002e-10 9.285838999999999e-10 9.134948e-10 8.999624000000001e-10 8.876955000000001e-10 8.764774e-10 8.661429000000001e-10 8.565628000000001e-10 8.476345000000001e-10 8.392747999999999e-10 8.314158000000001e-10 8.240007000000001e-10 8.169821000000001e-10 8.103198000000001e-10 8.039792999999999e-10 7.979310000000001e-10 7.921490000000001e-10 7.86611e-10 7.810124e-10 7.752429000000001e-10 7.692920000000001e-10 7.631477000000001e-10 7.56797e-10 7.502257000000001e-10 7.434179000000001e-10 7.363558e-10 7.290199000000001e-10 7.213878e-10 7.134348000000001e-10 7.051326e-10 6.964493e-10 6.87348e-10 6.777865e-10 6.677158000000001e-10 6.570786e-10 6.458074e-10 6.338216e-10 6.210247e-10 6.072986e-10 5.92498e-10 5.764401000000001e-10 5.588913e-10 5.395463e-10 5.179949e-10 4.936681e-10 4.657442e-10 4.3297160000000005e-10 3.93305e-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" [ 0.949934 1.47101 1.74428 1.95606 2.1545 2.32847 2.47359 2.57641 2.64251 2.68755 2.72315 2.75464 2.78321 2.80843 2.8298 2.84736 2.86165 2.8734 2.88302 2.89045 2.89581 2.89943 2.90162 2.90237 2.90152 2.89877 2.89402 2.88749 2.87923 2.86916 2.85814 2.84704 2.83645 2.82523 2.80958 2.78559 2.75162 2.70918 2.6616 2.61014 2.55133 2.47542 2.35321 2.14615 1.84667 1.44623 0.895571 0.123395 -1.06283 -3.05713 -6.31977 -11.7305 -21.4474 -42.2636 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5219620586421559e-19 2.3568178503803396e-19 2.79464465915352e-19 3.1339536267020396e-19 3.4518895579529997e-19 3.7306202269699795e-19 3.96312810009606e-19 4.12786390160394e-19 4.23376777711134e-19 4.3059298127066996e-19 4.3629673008771e-19 4.41341984308176e-19 4.45919402951514e-19 4.49960092422462e-19 4.533839438893199e-19 4.56197366058624e-19 4.584868764686099e-19 4.6036943401356e-19 4.61910727935468e-19 4.6310114517452995e-19 4.63959911850354e-19 4.64539899791862e-19 4.64890776474708e-19 4.650109397222579e-19 4.64874754708368e-19 4.644341561340179e-19 4.63673122232868e-19 4.62626900890866e-19 4.6130350299118195e-19 4.596901111207439e-19 4.57924512470076e-19 4.561460964063359e-19 4.5444939135093e-19 4.526517491675819e-19 4.501443427353719e-19 4.46300720990406e-19 4.40858126964708e-19 4.340584893300119e-19 4.2643533290543995e-19 4.1819053194687596e-19 4.0876813116232197e-19 3.96606008333628e-19 3.7702580768951393e-19 3.4385113830591e-19 2.95869152470878e-19 2.3171159133898195e-19 1.434862930288014e-19 1.9770058575242998e-20 -1.7028413919142197e-19 -4.89806225310042e-19 -1.0125387826254179e-18 -1.8794333005136998e-18 -3.4362523140051595e-18 -6.771375238872239e-18 ] } }