{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.42221 5.058903 4.833739 4.670146 4.541581 4.435659 4.345585 4.267228 4.197888 4.135702 4.079331 4.027779 3.980288 3.936264 3.895235 3.85682 3.820704 3.78663 3.754377 3.723761 3.694624 3.666829 3.640259 3.61481 3.589082 3.562569 3.535222 3.506986 3.477802 3.447604 3.416319 3.383866 3.350154 3.315081 3.278534 3.240382 3.200478 3.158654 3.114715 3.068436 3.019553 2.967757 2.912677 2.85387 2.790793 2.722777 2.648984 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.42221e-10 5.058903e-10 4.833739e-10 4.670146e-10 4.5415810000000003e-10 4.4356590000000004e-10 4.345585e-10 4.267228e-10 4.197888e-10 4.135702e-10 4.079331e-10 4.027779e-10 3.980288e-10 3.936264e-10 3.895235e-10 3.85682e-10 3.8207040000000003e-10 3.7866300000000004e-10 3.754377e-10 3.723761e-10 3.694624e-10 3.666829e-10 3.640259e-10 3.61481e-10 3.589082e-10 3.562569e-10 3.535222e-10 3.506986e-10 3.477802e-10 3.4476040000000003e-10 3.416319e-10 3.383866e-10 3.350154e-10 3.3150810000000004e-10 3.278534e-10 3.240382e-10 3.200478e-10 3.158654e-10 3.114715e-10 3.068436e-10 3.019553e-10 2.967757e-10 2.912677e-10 2.85387e-10 2.790793e-10 2.722777e-10 2.648984e-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" [ 1.03233 1.45343 1.7781 2.05799 2.29059 2.48105 2.63919 2.77248 2.88622 2.98444 3.07037 3.14655 3.21474 3.27593 3.33041 3.37807 3.41883 3.45279 3.48041 3.50236 3.5191 3.53077 3.53759 3.5398 3.53742 3.52974 3.51579 3.49439 3.4645 3.4252 3.37487 3.31145 3.23217 3.13345 3.01074 2.85836 2.66941 2.43539 2.14556 1.78584 1.33696 0.772003 0.0541399 -0.864999 -2.04996 -3.59331 -5.63582 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.65397500457722e-19 2.32865158515462e-19 2.8488302729153996e-19 3.29726349100566e-19 3.6699297760740595e-19 3.9750803377857e-19 4.22844855068646e-19 4.442002674232319e-19 4.624234244583479e-19 4.78160003357496e-19 4.919275071734579e-19 5.041328887712699e-19 5.15058131238516e-19 5.248618500619619e-19 5.33590508363994e-19 5.412264822016379e-19 5.477569541618219e-19 5.531979460108859e-19 5.576231578739939e-19 5.61139935585624e-19 5.638219792709399e-19 5.65691719402818e-19 5.66784403867206e-19 5.6713848490332e-19 5.66757166864428e-19 5.655266952095159e-19 5.63291658805086e-19 5.5986300080832595e-19 5.550740948493e-19 5.487775406776799e-19 5.40713785678758e-19 5.3055278146592995e-19 5.17850725111578e-19 5.0203403738073e-19 4.82373727904916e-19 4.579597603560239e-19 4.2768663285659396e-19 3.9019249526772594e-19 3.43756609884504e-19 2.86123112006256e-19 2.1420460725926398e-19 1.2368851679779019e-19 8.67416827470966e-21 -1.385881186233366e-19 -3.28439801263464e-19 -5.757117320718539e-19 -9.029579117429879e-19 ] } }