{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 5.82407 5.433835 5.191983 5.016265 4.878171 4.764398 4.667648 4.583483 4.509004 4.442209 4.38166 4.326288 4.275277 4.22799 4.18392 4.142657 4.103865 4.067264 4.032621 3.999736 3.968439 3.938585 3.910045 3.88271 3.864101 3.844515 3.823846 3.801964 3.778721 3.753934 3.727384 3.698801 3.667848 3.634095 3.596986 3.555778 3.509452 3.456554 3.394908 3.321032 3.228846 3.10617 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.82407e-10 5.433835e-10 5.191983e-10 5.016265e-10 4.878171e-10 4.764398e-10 4.667648e-10 4.5834830000000005e-10 4.5090040000000004e-10 4.442209e-10 4.38166e-10 4.326288e-10 4.275277e-10 4.22799e-10 4.1839199999999995e-10 4.142657e-10 4.103865e-10 4.067264e-10 4.032621e-10 3.9997360000000003e-10 3.968439e-10 3.938585e-10 3.9100450000000003e-10 3.88271e-10 3.864101e-10 3.844515e-10 3.8238460000000005e-10 3.801964e-10 3.778721e-10 3.7539340000000003e-10 3.727384e-10 3.698801e-10 3.6678480000000003e-10 3.634095e-10 3.596986e-10 3.555778e-10 3.5094520000000003e-10 3.456554e-10 3.3949080000000003e-10 3.321032e-10 3.228846e-10 3.1061700000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.10762 2.15351 2.88592 3.44669 3.89827 4.27314 4.59046 4.86407 5.10278 5.31208 5.49605 5.65784 5.79991 5.92422 6.03239 6.12576 6.20545 6.2724 6.32742 6.37124 6.40446 6.42762 6.44121 6.44565 6.44349 6.43637 6.42313 6.40248 6.37289 6.332 6.27671 6.20281 6.10446 5.97345 5.79782 5.55959 5.23063 4.7646 4.08005 3.01811 1.22263 -2.26738 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7746028687304962e-19 3.4503033746590077e-19 4.623753553499136e-19 5.522206137145152e-19 6.245717055566016e-19 6.846325005405312e-19 7.354727690717569e-19 7.793099235934656e-19 8.175554817085825e-19 8.510890383819264e-19 8.805642816747842e-19 9.064858972227073e-19 9.292480204744128e-19 9.491646780475777e-19 9.664954225547713e-19 9.814549456631809e-19 9.94222691154336e-19 1.0049492636305922e-18 1.0137644393982336e-18 1.0207851773505793e-18 1.0261076080848768e-18 1.0298182491386496e-18 1.0319956071663168e-18 1.032706973585952e-18 1.0323609034358591e-18 1.0312201536818496e-18 1.0290988718359104e-18 1.0257903771139583e-18 1.0210495364930112e-18 1.01449823629056e-18 1.0056398017541568e-18 9.937997165264449e-19 9.78042309460877e-19 9.57052193551776e-19 9.289131655606656e-19 8.907445119233472e-19 8.380393098055104e-19 7.63373072746368e-19 6.53696072169504e-19 4.835545281002689e-19 1.9588692018887042e-19 -3.6327432264695046e-19 ] } }