{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.3572 8.730232 8.341663 8.059346 7.83748 7.654687 7.499244 7.364022 7.24436 7.137044 7.039763 6.9508 6.868844 6.792871 6.722066 6.655772 6.593447 6.534643 6.478983 6.426149 6.375866 6.327901 6.282048 6.23813 6.193731 6.147977 6.100783 6.052057 6.001694 5.949581 5.895592 5.839587 5.78141 5.720885 5.657814 5.591975 5.523112 5.450935 5.375109 5.295245 5.210888 5.121502 5.026451 4.924966 4.816113 4.698738 4.571393 4.432224 4.278811 4.107899 3.914979 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.357200000000002e-10 8.730232000000001e-10 8.341663000000001e-10 8.059346e-10 7.837480000000001e-10 7.654687e-10 7.499244e-10 7.364022e-10 7.244360000000001e-10 7.137044000000001e-10 7.039763e-10 6.9508e-10 6.868844000000001e-10 6.792871e-10 6.722066e-10 6.655772e-10 6.593447000000001e-10 6.534643000000001e-10 6.478983000000001e-10 6.426149e-10 6.375866e-10 6.327901e-10 6.282047999999999e-10 6.238130000000001e-10 6.193731e-10 6.147977e-10 6.100783e-10 6.052057e-10 6.001694e-10 5.949581e-10 5.895592e-10 5.839587e-10 5.78141e-10 5.720885e-10 5.657814e-10 5.591975e-10 5.523112e-10 5.450935e-10 5.375109e-10 5.295245e-10 5.210888e-10 5.121502000000001e-10 5.026451e-10 4.924966000000001e-10 4.816113e-10 4.698738e-10 4.5713929999999997e-10 4.432224e-10 4.278811e-10 4.107899e-10 3.9149790000000005e-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" [ 0.44146 0.713731 0.899376 1.05797 1.19163 1.30837 1.41025 1.49975 1.57866 1.64837 1.70995 1.76427 1.81204 1.85385 1.89021 1.92176 1.94884 1.97161 1.99034 2.00531 2.01673 2.02459 2.02903 2.03049 2.02893 2.02387 2.01469 2.00065 1.98087 1.95431 1.91968 1.87546 1.8198 1.75042 1.66454 1.5587 1.42867 1.26913 1.07315 0.831794 0.533811 0.164561 -0.29509 -0.871303 -1.59967 -2.52951 -3.73122 -5.30318 -7.39412 -10.232 -14.1909 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.0729689684564e-20 1.143523131161454e-19 1.4409592123803838e-19 1.69505481347298e-19 1.90920174237342e-19 2.09623984262658e-19 2.2594695980985e-19 2.4028644068414995e-19 2.5292921650304397e-19 2.64097989818658e-19 2.7396419353083e-19 2.82667217006718e-19 2.90320814787336e-19 2.9701951529408996e-19 3.0284502953531396e-19 3.0789989681558397e-19 3.1223859114045597e-19 3.15886747336074e-19 3.1888762417155596e-19 3.21286082592654e-19 3.2311576830868195e-19 3.2437507914300597e-19 3.25086445568502e-19 3.2532036335706596e-19 3.2507042380216194e-19 3.24259722425358e-19 3.2278892427534597e-19 3.2053946828120996e-19 3.1737036289915794e-19 3.1311498175925397e-19 3.07566644075712e-19 3.0048181900016396e-19 2.9156410385532e-19 2.80448202368628e-19 2.6668870943583596e-19 2.4973127194158e-19 2.28898169169678e-19 2.03337043150842e-19 1.7193758547771e-19 1.332680911101396e-19 8.55259511172174e-20 2.63655789067674e-20 -4.7278630292706e-20 -1.395981307734102e-19 -2.5629538961107795e-19 -4.05272181746934e-19 -5.978073500313479e-19 -8.4966310818961195e-19 -1.184668629299208e-18 -1.6393471319087998e-18 -2.2736328395430596e-18 ] } }