{ "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" [ 7.93321 7.401656 7.072221 6.832868 6.644766 6.489791 6.358004 6.24336 6.141909 6.050925 5.968448 5.893024 5.82354 5.759128 5.699099 5.642894 5.590053 5.540198 5.493009 5.448215 5.405585 5.364919 5.326045 5.28881 5.263462 5.236783 5.208628 5.178823 5.147162 5.113398 5.077234 5.0383 4.996137 4.950161 4.899612 4.843481 4.780378 4.708324 4.624352 4.523723 4.398152 4.23105 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.93321e-10 7.401656e-10 7.072221e-10 6.832868e-10 6.644766e-10 6.489791000000001e-10 6.358004e-10 6.24336e-10 6.141909e-10 6.050925000000001e-10 5.968448000000001e-10 5.893024e-10 5.823540000000001e-10 5.759128e-10 5.699099e-10 5.642894e-10 5.590053000000001e-10 5.540198000000001e-10 5.493009e-10 5.448215e-10 5.405585000000001e-10 5.364919000000001e-10 5.326045e-10 5.28881e-10 5.263462e-10 5.236783e-10 5.208628000000001e-10 5.178823000000001e-10 5.147162e-10 5.113398000000001e-10 5.077234e-10 5.0383e-10 4.996137e-10 4.950161e-10 4.899612e-10 4.843481e-10 4.780378e-10 4.708324000000001e-10 4.6243520000000003e-10 4.5237230000000007e-10 4.3981519999999996e-10 4.23105e-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" [ 0.489225 0.767435 1.00877 1.21736 1.39882 1.5533 1.68035 1.78755 1.88091 1.96281 2.03472 2.09779 2.15297 2.20107 2.24397 2.28226 2.31499 2.34224 2.36446 2.382 2.3952 2.40433 2.40964 2.41137 2.41054 2.40781 2.40276 2.39486 2.38343 2.36794 2.34836 2.32247 2.28705 2.2392 2.17472 2.0875 1.96995 1.80952 1.58195 1.24004 0.69325 -0.264039 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.8382485731088e-20 1.229566414983648e-19 1.616227709764416e-19 1.950425731097088e-19 2.241156700707456e-19 2.48866094508864e-19 2.69221748476128e-19 2.86397081851104e-19 3.0135500278289284e-19 3.144768293072448e-19 3.2599808138741765e-19 3.361030093348032e-19 3.449438199283776e-19 3.526502894744256e-19 3.595236271776576e-19 3.656583614587008e-19 3.709022855385792e-19 3.7526821683025922e-19 3.788282532816768e-19 3.8163847107456003e-19 3.83753344214016e-19 3.8521613146880638e-19 3.860668872544512e-19 3.863440638098496e-19 3.8621108315032325e-19 3.8577368893284483e-19 3.849645897393408e-19 3.836988702089088e-19 3.8186758233133445e-19 3.793858107457152e-19 3.7624874892218884e-19 3.7210071365093765e-19 3.66425804060064e-19 3.58759388929536e-19 3.4842855407861765e-19 3.34454369592e-19 3.1562078341449604e-19 2.8991706388700163e-19 2.53456330527456e-19 1.9867630968568321e-19 1.1107089423696e-19 -4.2303711277941125e-20 ] } }