{ "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" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.18405 5.769696 5.512896 5.326317 5.179688 5.058883 4.956153 4.866786 4.787703 4.71678 4.652488 4.593694 4.53953 4.48932 4.442527 4.398713 4.357524 4.318661 4.281877 4.246959 4.213728 4.182028 4.151725 4.1227 4.10294 4.082144 4.060197 4.036963 4.012283 3.985964 3.957773 3.927423 3.894557 3.858718 3.819314 3.775559 3.72637 3.670203 3.604745 3.526303 3.428418 3.29816 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.18405e-10 5.769696e-10 5.512895999999999e-10 5.326317000000001e-10 5.179688e-10 5.058883e-10 4.956152999999999e-10 4.866786000000001e-10 4.787703e-10 4.716780000000001e-10 4.652488e-10 4.5936940000000005e-10 4.5395300000000005e-10 4.4893200000000004e-10 4.442527e-10 4.398713e-10 4.357524e-10 4.318661e-10 4.281877e-10 4.2469590000000003e-10 4.213728e-10 4.182028e-10 4.151725e-10 4.1227e-10 4.10294e-10 4.0821440000000004e-10 4.0601969999999997e-10 4.036963e-10 4.012283e-10 3.9859640000000004e-10 3.957773e-10 3.9274230000000004e-10 3.894557e-10 3.8587180000000004e-10 3.8193140000000003e-10 3.775559e-10 3.7263700000000004e-10 3.670203e-10 3.604745e-10 3.526303e-10 3.4284180000000003e-10 3.29816e-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" [ 1.86817 2.39683 2.77385 3.06993 3.31372 3.52002 3.69759 3.85221 3.9878 4.10719 4.21251 4.30543 4.38724 4.459 4.52157 4.57569 4.62195 4.66088 4.69292 4.71846 4.73785 4.75138 4.75933 4.76193 4.76067 4.7565 4.74873 4.7365 4.71867 4.69378 4.65983 4.61415 4.55303 4.47117 4.36091 4.21066 4.00221 3.70544 3.26712 2.58455 1.43351 -0.776109 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.99313832233978e-19 3.84014502167022e-19 4.444197656220899e-19 4.9185701140156195e-19 5.30916475561848e-19 5.639693795212679e-19 5.924192300112059e-19 6.17192085126114e-19 6.3891599810652e-19 6.58044384939846e-19 6.749185092491339e-19 6.89805934532262e-19 7.02913341575016e-19 7.144105611005999e-19 7.244353802995379e-19 7.33106360242746e-19 7.4051802935163e-19 7.467553029877919e-19 7.518886769231279e-19 7.55980636046364e-19 7.5908725653969e-19 7.61255001525492e-19 7.62528731949522e-19 7.62945297874362e-19 7.62743423618478e-19 7.620753159620999e-19 7.60830424717482e-19 7.588709626941e-19 7.56014281755678e-19 7.52026464113652e-19 7.46587074441222e-19 7.3926833157711e-19 7.294758279901019e-19 7.163604100641779e-19 6.986948104976939e-19 6.746221065718439e-19 6.41224734636114e-19 5.93676938668896e-19 5.23450332447408e-19 4.1409056194047e-19 2.29673622660534e-19 -1.243463705237106e-19 ] } }