{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.45402 7.887569 7.536505 7.281438 7.080987 6.915838 6.775398 6.653228 6.545116 6.448159 6.360268 6.279892 6.205846 6.137206 6.073235 6.01334 5.957031 5.903903 5.853615 5.805881 5.760452 5.717116 5.675689 5.63601 5.595896 5.554559 5.51192 5.467897 5.422395 5.375312 5.326534 5.275935 5.223373 5.16869 5.111708 5.052223 4.990007 4.924797 4.85629 4.784134 4.70792 4.627162 4.541285 4.449595 4.351249 4.245204 4.13015 4.004415 3.865809 3.711394 3.537095 3.337022 3.102208 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.45402e-10 7.887569e-10 7.536505e-10 7.281438e-10 7.080987000000001e-10 6.915838e-10 6.775398000000001e-10 6.653228000000001e-10 6.545116e-10 6.448159000000001e-10 6.360267999999999e-10 6.279892000000001e-10 6.205846000000001e-10 6.137206e-10 6.073235000000001e-10 6.013340000000001e-10 5.957031e-10 5.903903e-10 5.853615e-10 5.805881000000001e-10 5.760452e-10 5.717116e-10 5.675689e-10 5.63601e-10 5.595896e-10 5.554559e-10 5.511920000000001e-10 5.467897e-10 5.422395e-10 5.375312000000001e-10 5.326534e-10 5.275935e-10 5.223372999999999e-10 5.16869e-10 5.111708000000001e-10 5.052222999999999e-10 4.990007e-10 4.924797e-10 4.856290000000001e-10 4.784134000000001e-10 4.70792e-10 4.6271620000000006e-10 4.5412850000000005e-10 4.449595000000001e-10 4.3512490000000006e-10 4.245204e-10 4.1301500000000005e-10 4.004415e-10 3.865809e-10 3.711394e-10 3.537095e-10 3.337022e-10 3.1022080000000004e-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" [ 0.711079 0.912488 1.09266 1.29305 1.4671 1.61576 1.74486 1.85867 1.96629 2.0745 2.18084 2.28234 2.3774 2.46541 2.54622 2.61993 2.68677 2.747 2.80071 2.84653 2.88204 2.90634 2.92002 2.92429 2.92 2.90676 2.88409 2.85178 2.80952 2.75642 2.69097 2.61111 2.51434 2.39764 2.25748 2.08932 1.88723 1.64559 1.3584 1.01825 0.615943 0.140274 -0.425042 -1.11501 -1.93375 -2.89221 -4.00395 -5.29167 -6.83428 -8.69633 -10.9202 -13.7037 -17.4778 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1392741587280859e-19 1.461966952405392e-19 1.7506343209064398e-19 2.0716944965936998e-19 2.3505533397414e-19 2.58873291815184e-19 2.79557392160124e-19 2.97791764431678e-19 3.1503438936678597e-19 3.323715427233e-19 3.4940908904925595e-19 3.65671181884356e-19 3.8090147296716e-19 3.9500222952299396e-19 4.0794941890234796e-19 4.19759062871562e-19 4.3046801149321797e-19 4.401179213597999e-19 4.4872321206101395e-19 4.56064385398002e-19 4.617537146253359e-19 4.65647003845956e-19 4.67838781481268e-19 4.68522910903986e-19 4.678355771279999e-19 4.65714295264584e-19 4.620821608353059e-19 4.56905528130852e-19 4.50134729675568e-19 4.416271717490279e-19 4.31140925679498e-19 4.1834594308037396e-19 4.0284167979315593e-19 3.8414427847437595e-19 3.61688170772232e-19 3.3474596849488793e-19 3.0236758089838196e-19 2.63652584714406e-19 2.1763967396256e-19 1.6314163575705e-19 9.86849482475862e-20 2.24743725157716e-20 -6.809923608686279e-20 -1.78644296867634e-19 -3.0982090659975e-19 -4.63383128262114e-19 -6.415035133704299e-19 -8.47819002883878e-19 -1.0949723726213519e-18 -1.3933056727553218e-18 -1.74960892786068e-18 -2.1955747939345798e-18 -2.8002522773725195e-18 ] } }