{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" [ 4.59764 4.28958 4.098657 3.959942 3.850928 3.761113 3.684736 3.618295 3.559499 3.50677 3.458971 3.415259 3.37499 3.337661 3.302871 3.270298 3.239674 3.210781 3.183433 3.157473 3.132767 3.109199 3.086669 3.06509 3.050399 3.034938 3.018621 3.001347 2.982998 2.963431 2.942472 2.919908 2.895472 2.868827 2.839532 2.807002 2.770431 2.728672 2.680007 2.621688 2.548913 2.45207 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.5976400000000006e-10 4.28958e-10 4.0986570000000003e-10 3.959942e-10 3.850928e-10 3.761113e-10 3.6847360000000003e-10 3.618295e-10 3.559499e-10 3.50677e-10 3.458971e-10 3.415259e-10 3.37499e-10 3.337661e-10 3.302871e-10 3.270298e-10 3.239674e-10 3.210781e-10 3.1834330000000003e-10 3.157473e-10 3.132767e-10 3.109199e-10 3.086669e-10 3.06509e-10 3.0503990000000003e-10 3.034938e-10 3.0186210000000003e-10 3.0013470000000003e-10 2.982998e-10 2.963431e-10 2.9424720000000003e-10 2.919908e-10 2.895472e-10 2.8688270000000003e-10 2.839532e-10 2.8070020000000004e-10 2.770431e-10 2.728672e-10 2.6800069999999997e-10 2.6216879999999996e-10 2.5489130000000004e-10 2.45207e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0 0.030099 0.50392 1.28734 2.08932 2.7663 3.28 3.64156 3.87921 4.02282 4.09746 4.13001 4.15329 4.1695 4.17899 4.18209 4.18059 4.1683 4.13381 4.07249 3.97991 3.85175 3.68342 3.4694 3.20261 2.87423 2.47484 1.99799 1.44757 0.82717 -0.0154052 -1.25693 -3.2291 -6.76152 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.8223914506766e-21 8.0736884940528e-20 2.0625460680135598e-19 3.3474596849488793e-19 4.4321012226342e-19 5.25513935952e-19 5.83442234330904e-19 6.21517962037914e-19 6.44526820678788e-19 6.56485467074964e-19 6.61700552018634e-19 6.65430419222586e-19 6.680275475463e-19 6.695480131719659e-19 6.700446879285059e-19 6.698043614334059e-19 6.6783528635022e-19 6.62309379139554e-19 6.52484832019866e-19 6.37651880742294e-19 6.1711838500095e-19 5.90148945720828e-19 5.558591613999599e-19 5.131146909814739e-19 4.60502414674182e-19 3.9651308208885595e-19 3.20113289296566e-19 2.31926283007938e-19 1.3252724463457799e-19 -2.46818514820968e-21 -2.0138238765736201e-19 -5.173588568849399e-19 -1.083314935432368e-18 ] } }