{ "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 4.82239141094592e-21 8.073688427535362e-20 2.062546051020672e-19 3.3474596573698558e-19 4.432101186119041e-19 5.255139316224e-19 5.834422295240449e-19 6.215179569173569e-19 6.445268153686656e-19 6.564854616663169e-19 6.617005465670209e-19 6.654304137402432e-19 6.6802754204256e-19 6.695480076556992e-19 6.700446824081472e-19 6.698043559150271e-19 6.678352808480641e-19 6.623093736829249e-19 6.524848266441792e-19 6.376518754888128e-19 6.171183799166401e-19 5.901489408587136e-19 5.55859156820352e-19 5.131146867540288e-19 4.605024108801984e-19 3.965130788220672e-19 3.2011328665921923e-19 2.319262810971456e-19 1.325272435427136e-19 -2.4681851278748164e-21 -2.0138238599821444e-19 -5.17358852622528e-19 -1.0833149265071616e-18 ] } }