{ "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 3.213822 3.197533 3.180342 3.162143 3.142811 3.122195 3.100113 3.07634 3.050596 3.022523 2.991659 2.957386 2.918856 2.87486 2.823587 2.762144 2.685471 2.58344 ] "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 3.213822e-10 3.197533e-10 3.1803420000000003e-10 3.162143e-10 3.142811e-10 3.1221950000000003e-10 3.100113e-10 3.0763400000000004e-10 3.050596e-10 3.022523e-10 2.991659e-10 2.957386e-10 2.918856e-10 2.87486e-10 2.823587e-10 2.7621440000000003e-10 2.685471e-10 2.58344e-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 3.2566 3.25533 3.25302 3.24941 3.24413 3.23669 3.22603 3.21039 3.1874 3.1539 3.10582 3.03779 2.94062 2.79952 2.59118 2.27878 1.82089 1.33631 ] "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 5.2176484262844e-19 5.21561366195922e-19 5.211912633934679e-19 5.2061287762859395e-19 5.19766928365842e-19 5.185749089501459e-19 5.16866988658302e-19 5.143611844027259e-19 5.106777803211599e-19 5.0531048859726e-19 4.976072233409879e-19 4.86707615699886e-19 4.71139265347308e-19 4.485325530415679e-19 4.15152805048812e-19 3.6510080700265193e-19 2.9173874110842596e-19 2.14100465778054e-19 ] } }