{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.3961 7.83353 7.484872 7.231553 7.032475 6.868458 6.728981 6.607648 6.500277 6.403984 6.316695 6.23687 6.163331 6.095161 6.031629 5.972144 5.916221 5.863457 5.813514 5.766107 5.720989 5.67795 5.636807 5.5974 5.570572 5.542338 5.512539 5.480995 5.447486 5.411753 5.373478 5.332272 5.287649 5.23899 5.185493 5.126086 5.059302 4.983043 4.894171 4.787671 4.654772 4.47792 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.396100000000001e-10 7.83353e-10 7.484872e-10 7.231553000000001e-10 7.032475000000001e-10 6.868458000000001e-10 6.728981e-10 6.607648000000001e-10 6.500277e-10 6.403984000000001e-10 6.316695e-10 6.23687e-10 6.163331e-10 6.095161e-10 6.031629e-10 5.972144e-10 5.916221e-10 5.863457e-10 5.813514e-10 5.766107000000001e-10 5.720989000000001e-10 5.67795e-10 5.636807000000001e-10 5.597400000000001e-10 5.570572000000001e-10 5.542338e-10 5.512539e-10 5.480995e-10 5.447486e-10 5.411753e-10 5.373478e-10 5.332272e-10 5.287649000000001e-10 5.23899e-10 5.185493e-10 5.126086e-10 5.059302e-10 4.983043000000001e-10 4.894171000000001e-10 4.787671e-10 4.6547720000000007e-10 4.4779200000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.432805 0.595946 0.721581 0.822582 0.906672 0.978085 1.03995 1.09498 1.1431 1.18523 1.22212 1.25434 1.28371 1.31023 1.33332 1.35325 1.37025 1.38452 1.39624 1.40556 1.41261 1.41752 1.42039 1.42133 1.42088 1.41938 1.41727 1.41515 1.41132 1.40532 1.39656 1.3842 1.36711 1.34371 1.31272 1.27175 1.21414 1.13142 1.00885 0.818319 0.505185 -0.0783647 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.93430052365344e-20 9.548107484592768e-20 1.1561002082134848e-19 1.3179216490909056e-19 1.4526486811339779e-19 1.5670649201551681e-19 1.66618357680096e-19 1.7543513562435842e-19 1.8314480952364802e-19 1.898947796270784e-19 1.9580520918120962e-19 2.0096742225342722e-19 2.056730149887168e-19 2.0992198738707842e-19 2.1362141320450562e-19 2.1681455120976003e-19 2.1953825146512003e-19 2.218245575030016e-19 2.237023085025792e-19 2.251955371131648e-19 2.263250716308288e-19 2.2711174035164158e-19 2.275715650418112e-19 2.277221696441664e-19 2.276500716962304e-19 2.274097452031104e-19 2.270716859361216e-19 2.26732024492512e-19 2.261183908467456e-19 2.251570848742656e-19 2.237535781544448e-19 2.2177328785113605e-19 2.1903516800618884e-19 2.152860747135168e-19 2.1032092936565763e-19 2.0375681175024e-19 1.9452667223781122e-19 1.8127346723055363e-19 1.61635588389408e-19 1.3110915701564353e-19 8.093955961788481e-20 -1.2555409023600577e-20 ] } }