{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14026 7.594832 7.256798 7.011198 6.818187 6.659167 6.52394 6.406304 6.302205 6.208846 6.124217 6.046824 5.975527 5.909434 5.847838 5.790165 5.735946 5.68479 5.636369 5.590406 5.546663 5.504936 5.465046 5.42684 5.388215 5.348412 5.307356 5.264966 5.221153 5.175818 5.128851 5.080129 5.029518 4.976865 4.921997 4.86472 4.804814 4.742024 4.676059 4.606582 4.533196 4.455435 4.372745 4.284459 4.189763 4.087653 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.14026e-10 7.594832e-10 7.256798000000001e-10 7.011198000000001e-10 6.818187e-10 6.659167e-10 6.52394e-10 6.406304000000001e-10 6.302205e-10 6.208846e-10 6.124217e-10 6.046824000000001e-10 5.975527e-10 5.909434000000001e-10 5.847838000000001e-10 5.790165000000001e-10 5.735946e-10 5.68479e-10 5.636369000000001e-10 5.590405999999999e-10 5.546663e-10 5.504936e-10 5.465046e-10 5.426840000000001e-10 5.388215e-10 5.348412e-10 5.307356e-10 5.264966e-10 5.221153e-10 5.175817999999999e-10 5.128851000000001e-10 5.080129000000001e-10 5.029518000000001e-10 4.976865e-10 4.921997e-10 4.86472e-10 4.804814e-10 4.742024e-10 4.676059e-10 4.6065820000000004e-10 4.533196e-10 4.4554349999999997e-10 4.372745e-10 4.2844590000000004e-10 4.1897630000000005e-10 4.087653000000001e-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 0.00106186 0.0372626 0.229175 0.6572 1.2644 1.92814 2.54653 3.06789 3.48132 3.79775 4.03573 4.2138 4.34748 4.44866 4.52604 4.58577 4.63213 4.66805 4.69549 4.71575 4.72968 4.7378 4.74046 4.7376 4.72837 4.71164 4.68607 4.65007 4.60173 4.53874 4.45831 4.35706 4.23081 4.07445 -26.685 -28.1035 -29.6915 -31.4809 -33.5121 -35.8364 -38.5188 -45.1332 -107.772 -125.21 -171.842 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.7012872805792398e-22 5.9701267042088395e-21 3.6717883009695e-20 1.0529504838648e-19 2.0257921360295997e-19 3.0892208550807597e-19 4.07999086378002e-19 4.915301673682259e-19 5.57768955947688e-19 6.0846663117735e-19 6.46595230713282e-19 6.7512519003492e-19 6.965430872782319e-19 7.12753910461044e-19 7.25151553254936e-19 7.34721354289818e-19 7.42149045165042e-19 7.4790406363437e-19 7.5230043631806605e-19 7.555464461785499e-19 7.57778278229712e-19 7.590792456565199e-19 7.595054246411639e-19 7.5904720212383985e-19 7.575683930906579e-19 7.54887951581976e-19 7.50791185928838e-19 7.45023350046438e-19 7.37278428197682e-19 7.271863175801159e-19 7.143000109128539e-19 6.980779724936039e-19 6.77850492489354e-19 6.527988586401299e-19 -4.2754083478289996e-18 -4.5026771033618995e-18 -4.7571027528411e-18 -5.0437962397290595e-18 -5.369230357627139e-18 -5.741624272667759e-18 -6.17139213297192e-18 -7.23113584576488e-18 -1.72669780199448e-17 -2.0060853634313998e-17 -2.75321237139828e-17 ] } }