{ "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" [ 6.69576 6.247119 5.96907 5.767052 5.60829 5.477489 5.366258 5.269497 5.18387 5.107078 5.037467 4.973807 4.915161 4.860797 4.810131 4.762693 4.718095 4.676016 4.636188 4.598381 4.5624 4.528078 4.495267 4.46384 4.442445 4.419928 4.396165 4.371009 4.344286 4.315789 4.285265 4.252404 4.216818 4.178013 4.13535 4.087974 4.034714 3.973899 3.903025 3.818092 3.712107 3.57107 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.69576e-10 6.247119e-10 5.96907e-10 5.767052e-10 5.60829e-10 5.477489000000001e-10 5.366258e-10 5.269497e-10 5.18387e-10 5.107078e-10 5.037467e-10 4.973807e-10 4.915161000000001e-10 4.860797e-10 4.810131e-10 4.762692999999999e-10 4.718095e-10 4.676016e-10 4.636188e-10 4.598381e-10 4.5624e-10 4.528078e-10 4.4952670000000003e-10 4.4638400000000005e-10 4.4424450000000005e-10 4.419928e-10 4.396165e-10 4.371009e-10 4.3442860000000004e-10 4.315789e-10 4.285265e-10 4.2524040000000005e-10 4.216818e-10 4.178013e-10 4.13535e-10 4.087974e-10 4.0347140000000004e-10 3.973899e-10 3.903025e-10 3.818092e-10 3.712107e-10 3.5710700000000005e-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 0 0.0383772 0.163491 0.268044 0.343012 0.396118 0.434756 0.46419 0.489312 0.511868 0.532063 0.550068 0.566031 0.580079 0.592323 0.602861 0.611781 0.61916 0.625069 0.62957 0.632722 0.634578 0.635187 0.63489 0.63391 0.632084 0.629204 0.625004 0.619133 0.611125 0.600351 0.585946 0.566685 0.540798 0.505629 0.457041 0.388262 0.287465 0.132186 -0.20886 -2.11328 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 6.148705261176576e-21 2.6194145791121283e-20 4.294538301457152e-20 5.495658070538496e-20 6.346509986780544e-20 6.965558989525248e-20 7.437143656091521e-20 7.839642466768897e-20 8.201029425356545e-20 8.524588993927104e-20 8.813060894502145e-20 9.068816348480447e-20 9.293890120170433e-20 9.490060625621186e-20 9.658897997921088e-20 9.801812152496448e-20 9.920036765345282e-20 1.0014709381868353e-19 1.008682335157056e-19 1.0137323958658177e-19 1.0167060356740224e-19 1.0176817612360895e-19 1.017205914779712e-19 1.015635781691328e-19 1.0127102071817472e-19 1.0080959385138432e-19 1.0013667967064832e-19 9.919604177657666e-20 9.791301873864001e-20 9.618683364739008e-20 9.387889822512768e-20 9.079294583580481e-20 8.664539121753985e-20 8.101069625984832e-20 7.322604049470528e-20 6.220642991450497e-20 4.6056970229827205e-20 2.117853187970688e-20 -3.34630609020288e-20 -3.3858478092042243e-19 ] } }