{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.4876 5.119911 4.892031 4.726465 4.59635 4.48915 4.397989 4.318687 4.24851 4.185574 4.128523 4.07635 4.028287 3.983731 3.942208 3.903329 3.866778 3.832292 3.79965 3.768665 3.739176 3.711047 3.684156 3.6584 3.640866 3.622412 3.602936 3.582319 3.560418 3.537063 3.512047 3.485115 3.45595 3.424147 3.389182 3.350354 3.306705 3.256863 3.198777 3.12917 3.042309 2.92672 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.4876e-10 5.119911e-10 4.892031000000001e-10 4.726465e-10 4.5963500000000004e-10 4.4891500000000005e-10 4.3979890000000003e-10 4.318687e-10 4.24851e-10 4.185574e-10 4.1285230000000004e-10 4.07635e-10 4.028287e-10 3.9837310000000005e-10 3.942208e-10 3.903329e-10 3.866778e-10 3.832292e-10 3.7996500000000004e-10 3.768665e-10 3.739176e-10 3.7110470000000004e-10 3.6841560000000005e-10 3.6584e-10 3.640866e-10 3.6224120000000005e-10 3.602936e-10 3.582319e-10 3.560418e-10 3.537063e-10 3.512047e-10 3.4851150000000003e-10 3.4559500000000004e-10 3.424147e-10 3.389182e-10 3.350354e-10 3.306705e-10 3.256863e-10 3.1987770000000003e-10 3.1291699999999996e-10 3.042309e-10 2.92672e-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" [ 0.607217 1.17362 1.53821 1.8733 2.20793 2.52179 2.79387 3.02027 3.20319 3.34773 3.46269 3.55519 3.63021 3.69141 3.7415 3.78228 3.81489 3.84026 3.85926 3.87297 3.88238 3.88831 3.89143 3.8924 3.8919 3.89018 3.88686 3.88148 3.87339 3.86179 3.84564 3.82395 3.79551 3.75875 3.71119 3.64832 3.56312 3.44339 3.25672 2.89584 2.09207 0.28081 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.728688811523136e-20 1.8803465257032962e-19 2.464484099880768e-19 3.00135746374464e-19 3.5374938263629443e-19 4.0403529805672327e-19 4.476273195554496e-19 4.8390059825036165e-19 5.1320761299803525e-19 5.3636547387507845e-19 5.547840963077952e-19 5.696042300501952e-19 5.816237590594369e-19 5.914290799787328e-19 5.9945438267232e-19 6.059880589319425e-19 6.112127568923712e-19 6.152774789793408e-19 6.183216145588608e-19 6.205181987059776e-19 6.220258469061504e-19 6.229759376422849e-19 6.234758167479744e-19 6.23631227880192e-19 6.2355111904915205e-19 6.232755446703745e-19 6.227436220322688e-19 6.218816510102784e-19 6.205854901240512e-19 6.187269652439232e-19 6.161394500013312e-19 6.12664328910816e-19 6.081077386012609e-19 6.022181373432001e-19 5.945981853346752e-19 5.845253009197057e-19 5.708747561104897e-19 5.516918954296512e-19 5.217840644491776e-19 4.639647145577472e-19 3.3518656430770564e-19 4.4990721688684804e-20 ] } }