{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.0084 5.605815 5.356309 5.175029 5.032566 4.915192 4.81538 4.728551 4.651715 4.582806 4.52034 4.463216 4.410591 4.361807 4.316342 4.273774 4.233754 4.195995 4.160255 4.12633 4.094043 4.063243 4.033801 4.0056 3.986402 3.966196 3.944872 3.922298 3.898319 3.872748 3.845357 3.81587 3.783937 3.749116 3.710832 3.668319 3.620527 3.565955 3.502357 3.426143 3.331039 3.20448 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.008400000000001e-10 5.605815e-10 5.356309e-10 5.175029e-10 5.032566e-10 4.915192e-10 4.815380000000001e-10 4.728551e-10 4.651715e-10 4.582806e-10 4.52034e-10 4.463216e-10 4.4105910000000005e-10 4.361807e-10 4.316342e-10 4.273774000000001e-10 4.233754e-10 4.195995e-10 4.160255e-10 4.1263300000000003e-10 4.0940430000000003e-10 4.063243e-10 4.0338010000000004e-10 4.0056000000000006e-10 3.986402e-10 3.966196e-10 3.9448720000000004e-10 3.9222980000000004e-10 3.898319e-10 3.8727480000000003e-10 3.845357e-10 3.81587e-10 3.783937e-10 3.749116e-10 3.710832e-10 3.668319e-10 3.6205270000000004e-10 3.5659550000000005e-10 3.502357e-10 3.4261430000000005e-10 3.331039e-10 3.2044800000000005e-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" [ 0.035909 0.106435 0.0976315 0.0729794 0.0985822 0.202262 0.600916 1.20106 1.83466 2.38119 2.81292 3.13376 3.34699 3.45365 3.48989 3.499 3.51937 3.56077 3.61741 3.68376 3.75042 3.79827 3.8326 3.90868 3.78077 3.5078 3.20848 2.88025 2.52022 2.12521 1.69169 1.21589 0.694006 0.122187 -0.503053 -1.18405 -1.91939 -2.7119 -3.56884 -4.7845 -6.9575 -11.0088 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.753256027630721e-21 1.70527668634848e-20 1.5642290675363522e-20 1.1692588848001152e-20 1.5794609606702977e-20 3.240594476762496e-20 9.627735662646529e-20 1.9243102521780481e-19 2.939449359116928e-19 3.8150869476827525e-19 4.506794660180737e-19 5.020837007198209e-19 5.362469128051392e-19 5.53335728642592e-19 5.591420167163712e-19 5.6060159961792005e-19 5.638652333944897e-19 5.704982446046017e-19 5.795729729848128e-19 5.902034148638208e-19 6.008835242180737e-19 6.085499393486016e-19 6.14050211687808e-19 6.262395714188544e-19 6.057461302622016e-19 5.62011515044224e-19 5.140551644304385e-19 4.6146692120592005e-19 4.0378375632725765e-19 3.404961776290368e-19 2.710386167641152e-19 1.948070531464512e-19 1.111920187894925e-19 1.9576515476568962e-20 -8.059797556233024e-20 -1.89705722785824e-19 -3.075201784197312e-19 -4.34494277794752e-19 -5.717912011375872e-19 -7.665614042217601e-19 -1.1147143839216e-18 -1.7638041983063043e-18 ] } }