{ "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" [ "Al" "Al" ] } "a" { "source-value" [ 4.84395 4.519387 4.318237 4.17209 4.057236 3.962609 3.882141 3.812141 3.750195 3.694641 3.644282 3.598228 3.555802 3.516473 3.479819 3.445501 3.413237 3.382796 3.353983 3.326632 3.300602 3.275772 3.252035 3.2293 3.206316 3.18263 3.1582 3.132975 3.106904 3.079927 3.051978 3.022986 2.992869 2.961537 2.928888 2.894805 2.859157 2.821793 2.78254 2.741196 2.697527 2.651255 2.60205 2.549514 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.843950000000001e-10 4.5193870000000004e-10 4.318237e-10 4.17209e-10 4.057236e-10 3.962609e-10 3.882141e-10 3.8121410000000004e-10 3.750195e-10 3.694641e-10 3.644282e-10 3.598228e-10 3.555802e-10 3.516473e-10 3.479819e-10 3.4455010000000005e-10 3.413237e-10 3.382796e-10 3.3539830000000003e-10 3.326632e-10 3.300602e-10 3.275772e-10 3.252035e-10 3.2293e-10 3.2063160000000005e-10 3.18263e-10 3.1582e-10 3.132975e-10 3.106904e-10 3.079927e-10 3.051978e-10 3.022986e-10 2.992869e-10 2.961537e-10 2.9288880000000004e-10 2.8948049999999997e-10 2.859157e-10 2.821793e-10 2.7825400000000003e-10 2.741196e-10 2.697527e-10 2.651255e-10 2.6020500000000003e-10 2.549514e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.445471 1.27823 1.80508 2.06475 2.22681 2.35261 2.45752 2.54865 2.63326 2.71662 2.80018 2.88079 2.95515 3.02128 3.07797 3.12505 3.16351 3.1942 3.21777 3.23485 3.24622 3.2529 3.25613 3.25699 3.25613 3.25339 3.24845 3.24083 3.22966 3.21307 3.18881 3.15453 3.10793 3.0469 2.96818 2.86767 2.74084 2.58301 2.38978 2.15819 1.89422 1.62133 1.3923 1.29365 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.13723227324614e-20 2.0479502388778198e-19 2.89205699850072e-19 3.3080942050514997e-19 3.5677429503575395e-19 3.7692967709147396e-19 3.93738112158768e-19 4.0833874782440996e-19 4.2189476432468396e-19 4.35250508745708e-19 4.48638296699412e-19 4.61553442546086e-19 4.7346722799651e-19 4.84062422077152e-19 4.931451614152979e-19 5.006882090081699e-19 5.06850180342534e-19 5.117672604322799e-19 5.155435907586179e-19 5.1828010844949e-19 5.2010178328234795e-19 5.211720372738599e-19 5.21689540326642e-19 5.21827327517166e-19 5.21689540326642e-19 5.21250543928926e-19 5.204590686717299e-19 5.192382100766219e-19 5.17448578776444e-19 5.14790567740638e-19 5.10903687226554e-19 5.05411425725202e-19 4.97945282610762e-19 4.8816719861346e-19 4.755548641506119e-19 4.59451386802278e-19 4.39130980553256e-19 4.1384382673883395e-19 3.8288496764005197e-19 3.4578015897324595e-19 3.0348750236554796e-19 2.5976570420032196e-19 2.2307105275182e-19 2.0726558025740997e-19 ] } }