{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.74228 7.223519 6.902011 6.668419 6.484843 6.333598 6.204982 6.093098 5.994088 5.905294 5.824802 5.751193 5.683381 5.62052 5.561935 5.507082 5.455514 5.406859 5.360805 5.317089 5.275485 5.235798 5.197859 5.16152 5.136782 5.110746 5.083268 5.05418 5.023281 4.99033 4.955036 4.917039 4.875891 4.831022 4.78169 4.72691 4.665326 4.595006 4.513056 4.414849 4.2923 4.12922 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.74228e-10 7.223519e-10 6.902011e-10 6.668419e-10 6.484842999999999e-10 6.333598e-10 6.204982e-10 6.093098000000001e-10 5.994088e-10 5.905293999999999e-10 5.824802e-10 5.751193e-10 5.683381e-10 5.620520000000001e-10 5.561935e-10 5.507082e-10 5.455514e-10 5.406859e-10 5.360805e-10 5.317089000000001e-10 5.275485e-10 5.235798e-10 5.197859000000001e-10 5.16152e-10 5.136782000000001e-10 5.110746e-10 5.083268000000001e-10 5.05418e-10 5.023281e-10 4.99033e-10 4.955036e-10 4.917039e-10 4.875891e-10 4.831022e-10 4.78169e-10 4.726910000000001e-10 4.665326e-10 4.595006e-10 4.513056e-10 4.414849e-10 4.2923000000000003e-10 4.12922e-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" [ 1.19503 1.47942 1.68753 1.85252 1.98853 2.10323 2.20136 2.28609 2.35969 2.42383 2.47982 2.52867 2.5712 2.60808 2.63988 2.66707 2.69005 2.70917 2.72474 2.73701 2.74623 2.75259 2.75629 2.75749 2.75692 2.75503 2.75154 2.74609 2.73823 2.72737 2.71272 2.69327 2.66761 2.63383 2.58876 2.52833 2.44697 2.33438 2.17152 1.92021 1.49141 0.623457 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9146491271546242e-19 2.370292136343936e-19 2.7037211128986243e-19 2.968064233564416e-19 3.185976275759424e-19 3.369745934165184e-19 3.5269675259642884e-19 3.6627199510446724e-19 3.7806401503355525e-19 3.8834037587936644e-19 3.9731096277922567e-19 4.0513759557183363e-19 4.1195165274009606e-19 4.1786048011760645e-19 4.229554017717504e-19 4.273117200037056e-19 4.30993521878304e-19 4.340568835772736e-19 4.365514725758593e-19 4.385173432895808e-19 4.399945501339584e-19 4.410135344647872e-19 4.416063398144832e-19 4.417986010089792e-19 4.417072769415936e-19 4.414044655602624e-19 4.4084530591960325e-19 4.399721196612672e-19 4.387128088373185e-19 4.369728450271297e-19 4.346256562776576e-19 4.315094227502016e-19 4.273982375412288e-19 4.2198608491616644e-19 4.1476507488622084e-19 4.050831215667264e-19 3.920478125798976e-19 3.7400890600631043e-19 3.4791585755996166e-19 3.0765155690263683e-19 2.389502234027328e-19 9.988882294741057e-20 ] } }