{ "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" [ "Nd" "Nd" "Nd" "Nd" ] } "a" { "source-value" [ 7.76403 7.243811 6.921401 6.687152 6.503061 6.351391 6.222414 6.110215 6.010927 5.921883 5.841165 5.767349 5.699347 5.636309 5.57756 5.522553 5.47084 5.422048 5.375865 5.332026 5.290305 5.250506 5.212461 5.17602 5.151212 5.125103 5.097548 5.068379 5.037393 5.004349 4.968956 4.930852 4.889589 4.844593 4.795123 4.740189 4.678432 4.607915 4.525734 4.427251 4.304358 4.14082 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.764030000000001e-10 7.243811000000001e-10 6.921401000000001e-10 6.687152000000001e-10 6.503061e-10 6.351391e-10 6.222413999999999e-10 6.110215000000001e-10 6.010927e-10 5.921883000000001e-10 5.841165000000001e-10 5.767349e-10 5.699347000000001e-10 5.636309e-10 5.57756e-10 5.522553000000001e-10 5.47084e-10 5.422048e-10 5.375865e-10 5.332026e-10 5.290305e-10 5.250505999999999e-10 5.212461e-10 5.176020000000001e-10 5.151212e-10 5.125103e-10 5.097548e-10 5.068379e-10 5.037393e-10 5.004349e-10 4.968956000000001e-10 4.930852e-10 4.889589e-10 4.844593e-10 4.795123e-10 4.740189e-10 4.678432e-10 4.6079150000000003e-10 4.525734e-10 4.427251e-10 4.3043579999999997e-10 4.14082e-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" [ 1.10384 1.50984 1.80973 2.04828 2.24521 2.4114 2.55362 2.67645 2.78315 2.87616 2.95734 3.02817 3.08983 3.14332 3.18943 3.22886 3.26218 3.28992 3.31249 3.33029 3.34366 3.35289 3.35826 3.36 3.35916 3.35642 3.35136 3.34346 3.33205 3.31628 3.29502 3.26678 3.22953 3.18047 3.11561 3.02908 2.91195 2.74995 2.51883 2.17399 1.62353 0.642929 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7685466556745598e-19 2.41903036907856e-19 2.8995071198488197e-19 3.28170635588952e-19 3.59722300042314e-19 3.8634887352275996e-19 4.0913502961150797e-19 4.2881456520692997e-19 4.459097898917099e-19 4.60811634764544e-19 4.738181046793559e-19 4.851663217779779e-19 4.95045342903222e-19 5.03615385718488e-19 5.11003022177862e-19 5.17320404645724e-19 5.226588571902119e-19 5.27103295172928e-19 5.30719407835866e-19 5.33571282244386e-19 5.357133924040439e-19 5.371922014372259e-19 5.3805257028968395e-19 5.38331349024e-19 5.38196766186744e-19 5.37757769789028e-19 5.36947068412224e-19 5.356813488713639e-19 5.3385326533197e-19 5.31326632780152e-19 5.27920405256268e-19 5.233958584418519e-19 5.17427750480202e-19 5.09567471913798e-19 4.99175754265674e-19 4.853121198516719e-19 4.6654582493763e-19 4.4059056346683e-19 4.0356105710182194e-19 3.4831159805496594e-19 2.6011818305980197e-19 1.0300858211209858e-19 ] } }