{ "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" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 6.67023 6.2233 5.946311 5.745063 5.586907 5.456604 5.345797 5.249405 5.164105 5.087605 5.018259 4.954843 4.896421 4.842264 4.791791 4.744533 4.700105 4.658187 4.618511 4.580848 4.545005 4.510813 4.478127 4.44682 4.425507 4.403076 4.379403 4.354343 4.327723 4.299335 4.268927 4.236192 4.200741 4.162085 4.119584 4.072389 4.019333 3.95875 3.888147 3.803539 3.697958 3.55746 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.670230000000001e-10 6.223300000000001e-10 5.946311e-10 5.745063e-10 5.586907e-10 5.456604e-10 5.345797e-10 5.249405e-10 5.164105e-10 5.087605e-10 5.018258999999999e-10 4.954843000000001e-10 4.896421e-10 4.842264e-10 4.791791e-10 4.744533e-10 4.700105e-10 4.658187e-10 4.618511e-10 4.5808479999999996e-10 4.545005e-10 4.510813e-10 4.478127e-10 4.44682e-10 4.425507e-10 4.4030760000000006e-10 4.3794030000000003e-10 4.3543430000000004e-10 4.327723e-10 4.299335e-10 4.268927e-10 4.2361920000000004e-10 4.200741e-10 4.1620850000000004e-10 4.119584e-10 4.0723890000000004e-10 4.019333e-10 3.9587500000000004e-10 3.888147e-10 3.803539e-10 3.697958e-10 3.55746e-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" [ 3.47685 4.69607 5.12335 5.28593 5.36898 5.43811 5.5149 5.60482 5.70744 5.82054 5.94145 6.06748 6.19596 6.32422 6.44962 6.5696 6.68174 6.78379 6.87375 6.94989 7.01075 7.05517 7.08226 7.0914 7.08681 7.07141 7.04226 6.99559 6.92653 6.8287 6.69367 6.51012 6.26256 5.92936 5.47947 4.86688 4.02056 2.82507 1.08025 -1.5919 -5.99273 -14.1382 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.570527784028481e-19 7.523933563640256e-19 8.208511590175681e-19 8.468993465185344e-19 8.602054233542784e-19 8.712812703338688e-19 8.83584384604992e-19 8.979911567792256e-19 9.144326932618753e-19 9.325533108431234e-19 9.51925228365216e-19 9.721174603171585e-19 9.92702225541197e-19 1.0132517428795777e-18 1.0333430377044098e-18 1.0525659528007681e-18 1.0705327614264191e-18 1.0868829738416832e-18 1.1012961547224002e-18 1.1134951275131712e-18 1.12324597442736e-18 1.1303628429769536e-18 1.1347031394427008e-18 1.136167528874112e-18 1.1354321298051648e-18 1.132964777809133e-18 1.1282944329595009e-18 1.1208170746702272e-18 1.1097524429269823e-18 1.0940783490456962e-18 1.0724441581350336e-18 1.0430362062602497e-18 1.0033727218357247e-18 9.499881968306688e-19 8.779078728374977e-19 7.797601352239104e-19 6.4416472345236475e-19 4.526261106123457e-19 1.7307512946192e-19 -2.5505049626515204e-19 -9.601411900766784e-19 -2.265189350019456e-18 ] } }