{ "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 5.96446 5.56482 5.317139 5.137185 4.995764 4.879248 4.780166 4.693973 4.617699 4.549294 4.487285 4.430579 4.378338 4.329911 4.284779 4.242522 4.202795 4.165312 4.129834 4.096156 4.064106 4.033532 4.004304 3.97631 3.957252 3.937195 3.916027 3.893618 3.869814 3.844429 3.81724 3.787968 3.756268 3.721702 3.683698 3.641496 3.594054 3.539881 3.476748 3.401092 3.306683 3.18105 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.96446e-10 5.56482e-10 5.317139e-10 5.137185e-10 4.995764e-10 4.879248e-10 4.780166e-10 4.693973e-10 4.617699e-10 4.5492939999999996e-10 4.487285e-10 4.430579e-10 4.3783380000000005e-10 4.329911e-10 4.2847790000000006e-10 4.2425220000000004e-10 4.202795e-10 4.1653120000000003e-10 4.129834e-10 4.0961559999999997e-10 4.064106e-10 4.0335320000000005e-10 4.0043040000000006e-10 3.97631e-10 3.957252e-10 3.937195e-10 3.916027e-10 3.893618e-10 3.869814e-10 3.844429e-10 3.8172400000000004e-10 3.787968e-10 3.756268e-10 3.7217020000000003e-10 3.6836980000000003e-10 3.641496e-10 3.594054e-10 3.539881e-10 3.4767480000000003e-10 3.401092e-10 3.3066830000000003e-10 3.18105e-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" [ 1.40293 2.14994 2.75768 3.27311 3.71959 4.11118 4.45722 4.76442 5.03779 5.28122 5.49784 5.69023 5.86038 6.01015 6.14106 6.25443 6.35141 6.43303 6.50018 6.55367 6.59421 6.62247 6.63904 6.64445 6.64183 6.63318 6.61713 6.5919 6.55523 6.50418 6.43485 6.342 6.21845 6.05417 5.83468 5.53848 5.13235 4.56238 3.73545 2.47688 0.41838 -3.36612 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2477416651376197e-19 3.4445836325019596e-19 4.41829046004912e-19 5.244100362511739e-19 5.95944018606006e-19 6.58683653416812e-19 7.14125373659748e-19 7.63344239856228e-19 8.07142942499886e-19 8.46144728301348e-19 8.808510785470559e-19 9.116753548085819e-19 9.38936390236092e-19 9.6293218968351e-19 9.83906283999204e-19 1.0020701604988619e-18 1.0176080694953938e-18 1.0306850351821019e-18 1.041443651279412e-18 1.050013694094678e-18 1.056508918168914e-18 1.061036669336598e-18 1.0636914760191358e-18 1.0645582535781298e-18 1.064138483300022e-18 1.062752600511612e-18 1.060181107014042e-18 1.0561388153664599e-18 1.0502636336495819e-18 1.0420845219330118e-18 1.03097663132949e-18 1.0161004212828e-18 9.963055289697298e-19 9.699849712263779e-19 9.348187962867119e-19 8.87362324387632e-19 8.222931247509899e-19 7.30973863142892e-19 5.9848507074753e-19 3.96839926122192e-19 6.703186601329199e-20 -5.39311881124008e-19 ] } }