{ "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" [ 8.01501 7.477975 7.145142 6.903321 6.713279 6.556706 6.42356 6.307734 6.205236 6.113314 6.029987 5.953785 5.883584 5.818509 5.75786 5.701075 5.64769 5.597321 5.549645 5.504389 5.46132 5.420234 5.380959 5.34334 5.31773 5.290777 5.262331 5.232218 5.200231 5.166119 5.129581 5.090246 5.047648 5.001198 4.950128 4.893418 4.829664 4.756867 4.672029 4.570362 4.443495 4.27467 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.015010000000001e-10 7.477975e-10 7.145142e-10 6.903321e-10 6.713279e-10 6.556706000000001e-10 6.42356e-10 6.307734e-10 6.205236000000001e-10 6.113314e-10 6.029987000000001e-10 5.953785e-10 5.883584e-10 5.818509e-10 5.75786e-10 5.701075e-10 5.64769e-10 5.597321e-10 5.549645e-10 5.504389e-10 5.46132e-10 5.420234e-10 5.380959e-10 5.343340000000001e-10 5.31773e-10 5.290777000000001e-10 5.262331e-10 5.232217999999999e-10 5.200231e-10 5.166119e-10 5.129581e-10 5.090246e-10 5.047648e-10 5.001198e-10 4.950128000000001e-10 4.893417999999999e-10 4.829664e-10 4.756867e-10 4.672029e-10 4.5703620000000004e-10 4.4434950000000007e-10 4.2746700000000005e-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" [ 0.761889 1.06228 1.27927 1.45364 1.60003 1.72333 1.82883 1.91998 1.99923 2.06839 2.12881 2.18231 2.23164 2.27493 2.31276 2.3456 2.37389 2.39796 2.41813 2.43466 2.44778 2.45765 2.46214 2.46351 2.46284 2.46065 2.4566 2.45024 2.44104 2.42825 2.41094 2.38783 2.35717 2.31654 2.26244 2.19076 2.09273 1.95555 1.7572 1.45596 0.965906 0.0736219 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2206807434446913e-19 1.701960180743424e-19 2.049616485690816e-19 2.328988023059712e-19 2.563530658578624e-19 2.761079035923264e-19 2.930108669417664e-19 3.0761470684035842e-19 3.2031195656019843e-19 3.313926100696512e-19 3.410729612125248e-19 3.4964460613380484e-19 3.5754814340421123e-19 3.644839659956544e-19 3.705450001521408e-19 3.75806548174848e-19 3.803391058350912e-19 3.841955449613568e-19 3.8742713520551043e-19 3.900755331596928e-19 3.921775888861824e-19 3.9375893721091203e-19 3.9447831451365123e-19 3.946978127107008e-19 3.945904668771072e-19 3.9423959019715197e-19 3.93590708665728e-19 3.925717243348992e-19 3.9109772184376325e-19 3.8904853794576e-19 3.862751702151552e-19 3.8257254004448644e-19 3.7766026652511364e-19 3.711506229148032e-19 3.624828473962752e-19 3.509984453783808e-19 3.3529230796467842e-19 3.13313649080544e-19 2.81534475806976e-19 2.332705072819968e-19 1.547552011090445e-19 1.1795528695887553e-20 ] } }