{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.30241 4.014132 3.835469 3.70566 3.603647 3.519599 3.448127 3.385952 3.330932 3.281588 3.236859 3.195954 3.158271 3.123338 3.090783 3.0603 3.031644 3.004606 2.979014 2.954721 2.931601 2.909546 2.888464 2.86827 2.854523 2.840055 2.824785 2.808621 2.79145 2.77314 2.753527 2.732412 2.709546 2.684612 2.657198 2.626757 2.592535 2.553458 2.507918 2.453344 2.385244 2.29462 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.30241e-10 4.014132e-10 3.835469e-10 3.70566e-10 3.6036470000000003e-10 3.519599e-10 3.448127e-10 3.385952e-10 3.3309319999999997e-10 3.281588e-10 3.236859e-10 3.195954e-10 3.1582710000000004e-10 3.123338e-10 3.090783e-10 3.0603e-10 3.031644e-10 3.004606e-10 2.979014e-10 2.954721e-10 2.9316010000000003e-10 2.9095460000000003e-10 2.888464e-10 2.86827e-10 2.854523e-10 2.840055e-10 2.824785e-10 2.808621e-10 2.79145e-10 2.7731400000000003e-10 2.753527e-10 2.732412e-10 2.709546e-10 2.684612e-10 2.6571980000000003e-10 2.626757e-10 2.592535e-10 2.553458e-10 2.507918e-10 2.4533440000000003e-10 2.3852440000000003e-10 2.2946200000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.910137 1.39807 1.75433 2.02764 2.24563 2.4282 2.58491 2.72077 2.83946 2.94378 3.03552 3.11566 3.18511 3.24499 3.29658 3.34099 3.37902 3.41114 3.43764 3.45878 3.47478 3.4859 3.49237 3.49447 3.49345 3.4901 3.48385 3.47398 3.45957 3.43942 3.4119 3.37486 3.32527 3.25885 3.16928 3.04704 2.87706 2.6345 2.27534 1.71316 0.752755 -1.11382 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4582002231250496e-19 2.239955068241856e-19 2.810746511168064e-19 3.248637403398912e-19 3.597895884967104e-19 3.8904052706265603e-19 4.1414823688721277e-19 4.359154084574016e-19 4.549316427696768e-19 4.716455492778624e-19 4.863439175970816e-19 4.991837610361729e-19 5.1031087766762885e-19 5.199047112729792e-19 5.281703404596865e-19 5.352856068326593e-19 5.413786845215616e-19 5.465248758275713e-19 5.507706438726912e-19 5.541576452490625e-19 5.567211278423425e-19 5.585027482446721e-19 5.595393565183297e-19 5.5987581360869765e-19 5.597123915933761e-19 5.591756624254081e-19 5.58174302037408e-19 5.565929537126784e-19 5.542842172021056e-19 5.510558313111936e-19 5.466466412507521e-19 5.407121790473089e-19 5.327669851847617e-19 5.22125328069408e-19 5.0777463207690245e-19 4.881896250642432e-19 4.609558268638848e-19 4.2209343074976e-19 3.645496552371072e-19 2.744784899689728e-19 1.206046462190304e-19 -1.7845363637794562e-19 ] } }