{ "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" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" [ 4.43898 4.141552 3.957218 3.823289 3.718038 3.631322 3.557582 3.493433 3.436667 3.385757 3.339608 3.297405 3.258525 3.222484 3.188895 3.157446 3.127879 3.099983 3.073579 3.048514 3.024661 3.001907 2.980154 2.95932 2.945136 2.930209 2.914455 2.897778 2.880062 2.86117 2.840934 2.819149 2.795557 2.769832 2.741548 2.71014 2.674832 2.634515 2.587529 2.531223 2.46096 2.36746 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.43898e-10 4.141552e-10 3.957218e-10 3.823289e-10 3.718038e-10 3.631322e-10 3.557582e-10 3.493433e-10 3.436667e-10 3.385757e-10 3.3396080000000005e-10 3.297405e-10 3.2585250000000004e-10 3.222484e-10 3.188895e-10 3.157446e-10 3.127879e-10 3.099983e-10 3.073579e-10 3.048514e-10 3.0246610000000004e-10 3.0019070000000004e-10 2.9801540000000005e-10 2.95932e-10 2.945136e-10 2.930209e-10 2.9144549999999997e-10 2.8977780000000003e-10 2.880062e-10 2.86117e-10 2.840934e-10 2.819149e-10 2.7955570000000004e-10 2.769832e-10 2.741548e-10 2.71014e-10 2.674832e-10 2.634515e-10 2.587529e-10 2.531223e-10 2.46096e-10 2.36746e-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" [ 0.432036 0.578354 0.680954 0.765282 0.83779 0.901879 0.959591 1.01227 1.06085 1.10601 1.14827 1.18803 1.2256 1.26124 1.29517 1.32755 1.35854 1.38826 1.41682 1.44432 1.47084 1.49646 1.52123 1.53912 1.52847 1.49617 1.44305 1.37121 1.28316 1.18118 1.06722 0.943247 0.812286 0.680144 0.557959 0.465688 0.430364 0.408352 0.377386 0.331572 -0.138701 -1.48882 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.921979842468239e-20 9.26625264980436e-20 1.091008587628836e-19 1.2261169388207879e-19 1.34228756219886e-19 1.4449694604952859e-19 1.5374342783966937e-19 1.6218353412991798e-19 1.6996690821789e-19 1.7720233789703397e-19 1.8397313635231798e-19 1.9034339064910197e-19 1.9636276826303999e-19 2.0207292578661598e-19 2.0750911110577798e-19 2.1269695904667e-19 2.17662104435436e-19 2.22423773391684e-19 2.26999589858388e-19 2.31405575601888e-19 2.35654548035256e-19 2.39759324571564e-19 2.43727916093982e-19 2.4659421009220797e-19 2.4488789197699796e-19 2.39712861449178e-19 2.3120209916937e-19 2.1969206223071397e-19 2.05584896968344e-19 1.8924589965481196e-19 1.70987494733748e-19 1.5112483034905978e-19 1.301425649325324e-19 1.089710824555296e-19 8.939488725300059e-20 7.46114432334192e-20 6.89519144914776e-20 6.54252032847168e-20 6.04639031198724e-20 5.312369108886479e-20 -2.2222350131243398e-20 -2.38535261623188e-19 ] } }