{ "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" [ "Ti" "Ti" ] } "a" { "source-value" [ 4.8952 4.567204 4.363925 4.216233 4.100164 4.004537 3.923217 3.852476 3.789876 3.733734 3.682842 3.636301 3.593426 3.553681 3.516639 3.481958 3.449353 3.41859 3.389471 3.361831 3.335526 3.310433 3.286446 3.26347 3.247829 3.231367 3.213994 3.195602 3.176066 3.155232 3.132917 3.108893 3.082876 3.054507 3.023316 2.98868 2.949743 2.905282 2.853467 2.791374 2.71389 2.61078 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.8952e-10 4.567204e-10 4.363925e-10 4.216233e-10 4.1001640000000004e-10 4.0045370000000004e-10 3.923217e-10 3.852476e-10 3.789876e-10 3.733734e-10 3.682842e-10 3.636301e-10 3.593426e-10 3.553681e-10 3.516639e-10 3.481958e-10 3.449353e-10 3.4185900000000004e-10 3.389471e-10 3.3618310000000003e-10 3.3355260000000005e-10 3.3104330000000005e-10 3.2864460000000003e-10 3.26347e-10 3.247829e-10 3.231367e-10 3.213994e-10 3.195602e-10 3.176066e-10 3.155232e-10 3.132917e-10 3.1088930000000003e-10 3.0828760000000004e-10 3.0545070000000003e-10 3.023316e-10 2.98868e-10 2.949743e-10 2.905282e-10 2.8534670000000004e-10 2.791374e-10 2.71389e-10 2.6107800000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.64645 2.24471 2.66795 3.00373 3.28032 3.51328 3.71232 3.88397 4.03289 4.16254 4.27558 4.37412 4.45983 4.5341 4.59809 4.65276 4.69895 4.73735 4.7686 4.79322 4.8117 4.82446 4.83187 4.83427 4.83311 4.82933 4.82235 4.81146 4.79574 4.77401 4.74474 4.70587 4.65464 4.58719 4.49807 4.37925 4.21853 3.99642 3.67983 3.20797 2.45572 1.11784 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.63790369731616e-19 3.596421882475968e-19 4.27452711546336e-19 4.812505981195584e-19 5.255652012742657e-19 5.628895078324224e-19 5.947792312928256e-19 6.222805929888577e-19 6.461402072258113e-19 6.669124271144832e-19 6.850234316360064e-19 7.008112800573696e-19 7.145435358742465e-19 7.26442901636928e-19 7.366952298334272e-19 7.454543294193408e-19 7.52854783230816e-19 7.590071414546881e-19 7.640139433946881e-19 7.679585022350976e-19 7.709193246303361e-19 7.729637019984768e-19 7.741509148744897e-19 7.745354372634817e-19 7.743495847754687e-19 7.737439620128064e-19 7.726256427314881e-19 7.708808723914369e-19 7.683622507435393e-19 7.648807209465408e-19 7.601911499774593e-19 7.539634894524096e-19 7.457555386240512e-19 7.349488573167551e-19 7.206702592721857e-19 7.0163319666384e-19 6.758830140143425e-19 6.402970690897537e-19 5.895737594518465e-19 5.139734534227777e-19 3.934497171230976e-19 1.790977113795072e-19 ] } }