{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 9.28134 8.659456 8.274037 7.99401 7.773942 7.592631 7.438449 7.304323 7.185631 7.079186 6.982694 6.894452 6.81316 6.737803 6.667572 6.601815 6.539996 6.481669 6.42646 6.374054 6.32418 6.276603 6.231122 6.18756 6.143521 6.098138 6.051327 6.002995 5.953041 5.90135 5.847799 5.792249 5.734543 5.674509 5.611949 5.546644 5.47834 5.406748 5.331537 5.25232 5.168647 5.079986 4.985705 4.885043 4.777073 4.66065 4.534337 4.396297 4.244127 4.074601 3.883245 3.663593 3.405801 3.09378 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.28134e-10 8.659456e-10 8.274037e-10 7.994010000000001e-10 7.773942e-10 7.592631e-10 7.438449000000001e-10 7.304323e-10 7.185631e-10 7.079186e-10 6.982694e-10 6.894452000000001e-10 6.81316e-10 6.737803e-10 6.667572e-10 6.601815000000001e-10 6.539996000000001e-10 6.481669e-10 6.42646e-10 6.374054000000001e-10 6.324180000000001e-10 6.276603e-10 6.231122e-10 6.187560000000001e-10 6.143521e-10 6.098138e-10 6.051327e-10 6.002995e-10 5.953041e-10 5.90135e-10 5.847799e-10 5.792249e-10 5.734543e-10 5.674509e-10 5.611949e-10 5.546644e-10 5.47834e-10 5.406748e-10 5.331537e-10 5.252320000000001e-10 5.168647000000001e-10 5.079986e-10 4.985705e-10 4.885042999999999e-10 4.777073e-10 4.660650000000001e-10 4.534337e-10 4.3962969999999997e-10 4.2441269999999997e-10 4.0746010000000004e-10 3.883245e-10 3.663593e-10 3.405801e-10 3.0937800000000006e-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" [ 0.588138 0.845049 1.28037 2.07414 2.36786 2.49085 2.59091 2.66413 2.72951 2.79195 2.85422 2.91705 2.97499 3.02498 3.06652 3.10125 3.13043 3.15485 3.17519 3.19187 3.20499 3.21448 3.22025 3.22233 3.21977 3.21199 3.19863 3.17903 3.152 3.11615 3.06978 3.01055 2.93566 2.83994 2.71396 2.54996 2.34033 2.07515 1.73958 1.30942 0.750981 0.021328 -0.941639 -2.2559 -4.22797 -8.44616 -14.105 -22.3272 -35.397 -60.7357 -110.773 -119.986 -136.143 -169.53 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.42300961167492e-20 1.353917762385066e-19 2.05137889687458e-19 3.3231386436447594e-19 3.7937299645832395e-19 3.9907816687989e-19 4.15109546279694e-19 4.2684068359384197e-19 4.37315714426934e-19 4.4731970532963e-19 4.57296459229548e-19 4.6736293502097e-19 4.76645946438366e-19 4.846552274317319e-19 4.91310669169368e-19 4.968750286192499e-19 5.01550180037262e-19 5.0546269537749e-19 5.08721522651046e-19 5.11393953276558e-19 5.134960090203659e-19 5.15016474646032e-19 5.1594093056385e-19 5.16274183303722e-19 5.1586402608541795e-19 5.14617532664166e-19 5.12477024681142e-19 5.09336758478502e-19 5.050060750368e-19 4.9926227180391e-19 4.91832978752052e-19 4.823432865488699e-19 4.70344585736844e-19 4.550085509961959e-19 4.34824329761064e-19 4.0854863296346396e-19 3.7496220418492193e-19 3.3247568420450996e-19 2.7871144289737197e-19 2.0979221280922799e-19 1.2032042107779538e-19 3.4171223249951995e-21 -1.508672003463126e-19 -3.6143502686406e-19 -6.773954743252979e-19 -1.353224019902544e-18 -2.2598701422569998e-18 -3.57721181426448e-18 -5.671224631369799e-18 -9.73093193896338e-18 -1.7747791227808198e-17 -1.92238765607124e-17 -2.18125133482662e-17 -2.7161700476201998e-17 ] } }