{ "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" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" [ 17.2012 16.048663 15.334366 14.815392 14.407541 14.071517 13.785771 13.537196 13.317225 13.119949 12.94112 12.777582 12.626924 12.487264 12.357106 12.235239 12.120669 12.012571 11.910254 11.81313 11.720697 11.632524 11.548234 11.4675 11.385881 11.301772 11.215017 11.125443 11.032862 10.937063 10.837816 10.734863 10.627916 10.516654 10.400712 10.27968 10.153091 10.02041 9.881019 9.734205 9.579133 9.414816 9.240084 9.053525 8.853423 8.637654 8.403556 8.147725 7.865706 7.551522 7.196878 6.789794 6.312023 5.73375 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.72012e-09 1.6048663000000001e-09 1.5334366e-09 1.4815392e-09 1.4407541e-09 1.4071517e-09 1.3785771000000001e-09 1.3537196e-09 1.3317225e-09 1.3119949e-09 1.294112e-09 1.2777582000000002e-09 1.2626924e-09 1.2487264e-09 1.2357106e-09 1.2235239000000001e-09 1.2120669e-09 1.2012571e-09 1.1910254000000002e-09 1.181313e-09 1.1720697e-09 1.1632524e-09 1.1548234000000002e-09 1.14675e-09 1.1385881e-09 1.1301772e-09 1.1215017e-09 1.1125443e-09 1.1032862e-09 1.0937063e-09 1.0837816e-09 1.0734863e-09 1.0627916000000001e-09 1.0516654000000001e-09 1.0400712e-09 1.0279680000000001e-09 1.0153091e-09 1.002041e-09 9.881019000000001e-10 9.734204999999999e-10 9.579133e-10 9.414816e-10 9.240084e-10 9.053525000000001e-10 8.853423e-10 8.637654e-10 8.403556e-10 8.147724999999999e-10 7.865706000000001e-10 7.551522000000001e-10 7.196878e-10 6.789794e-10 6.312023000000001e-10 5.73375e-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" [ 0.000476905 0.00122531 0.00204497 0.0028729 0.00368194 0.00445846 0.00519515 0.00588815 0.00653563 0.00713687 0.00769183 0.00820085 0.00866453 0.00908358 0.00945881 0.00979105 0.0100812 0.01033 0.0105383 0.0107071 0.010837 0.0109288 0.0109834 0.0110014 0.0109816 0.0109167 0.010797 0.010611 0.0103446 0.00998026 0.00949682 0.00886789 0.00806069 0.00703419 0.00573665 0.00410231 0.00204686 -0.000538798 -0.00379749 -0.0079182 -0.0131544 -0.0198515 -0.0284872 -0.0397364 -0.0545722 -0.0744349 -0.10152 -0.139291 -0.19346 -0.273925 -0.399006 -0.605511 -0.976086 -1.72748 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.6408604763777e-23 1.96316305140654e-22 3.27640315123098e-22 4.6028932518186e-22 5.899118235789959e-22 7.14324043562364e-22 8.3235479401251e-22 9.4338563474871e-22 1.0471233674469418e-21 1.143452635389558e-21 1.2323670298700219e-21 1.31392102489389e-21 1.388210751059202e-21 1.455349962906972e-21 1.515468436744554e-21 1.56869915323257e-21 1.61518630826808e-21 1.655048462922e-21 1.6884218022082199e-21 1.71546654379014e-21 1.7362788182657996e-21 1.75098679976592e-21 1.75973468418756e-21 1.76261860212876e-21 1.7594462923934398e-21 1.7490481660387798e-21 1.7298701117297996e-21 1.7000696263374e-21 1.65738764080764e-21 1.5990139373244838e-21 1.5215583101303877e-21 1.420792615088226e-21 1.291464917191746e-21 1.127001485711646e-21 9.1911265874361e-22 6.572625227424539e-22 3.27943126506924e-22 -8.632495660459318e-23 -6.08424974584866e-22 -1.26863550233388e-21 -2.10756723142896e-21 -3.1805609449851e-21 -4.56415262080848e-21 -6.3664731599277595e-21 -8.74343037059748e-21 -1.192578575341266e-20 -1.6265297188368e-20 -2.2316878552649397e-20 -3.0995709161364e-20 -4.388762344684499e-20 -6.39278090025804e-20 -9.70135575829974e-20 -1.5638621819745239e-19 -2.7677280917023196e-19 ] } }