{ "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" [ "Mg" "Mg" ] } "a" { "source-value" [ 4.6559 4.343937 4.150595 4.010121 3.899726 3.808773 3.731428 3.664145 3.604604 3.551207 3.502802 3.458537 3.417757 3.379955 3.344724 3.311738 3.280727 3.251467 3.223772 3.197483 3.172464 3.148598 3.125783 3.10393 3.081838 3.059072 3.03559 3.011345 2.986286 2.960356 2.933493 2.905626 2.876679 2.846563 2.815181 2.782422 2.748158 2.712245 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.6559e-10 4.343937000000001e-10 4.150595e-10 4.010121e-10 3.899726e-10 3.808773e-10 3.7314280000000003e-10 3.664145e-10 3.6046040000000004e-10 3.551207e-10 3.502802e-10 3.4585370000000004e-10 3.417757e-10 3.379955e-10 3.3447239999999997e-10 3.3117380000000003e-10 3.280727e-10 3.251467e-10 3.223772e-10 3.1974830000000003e-10 3.172464e-10 3.1485979999999997e-10 3.1257830000000005e-10 3.1039300000000003e-10 3.081838e-10 3.059072e-10 3.0355900000000003e-10 3.011345e-10 2.9862860000000005e-10 2.960356e-10 2.933493e-10 2.905626e-10 2.8766790000000005e-10 2.8465630000000004e-10 2.815181e-10 2.782422e-10 2.7481580000000004e-10 2.712245e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.101294 0.151604 0.195924 0.236512 0.274244 0.309663 0.342982 0.374305 0.403732 0.431323 0.457147 0.481179 0.50342 0.523917 0.542673 0.55965 0.57476 0.587973 0.599255 0.608568 0.615885 0.621187 0.624401 0.625482 0.624262 0.620192 0.612541 0.600359 0.582407 0.557109 0.522444 0.47577 0.413639 0.33143 0.222961 0.0799844 -0.109107 -0.360472 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.62290879964396e-20 2.4289638642093596e-20 3.1390485483981596e-20 3.7893400006060797e-20 4.393873288146959e-20 4.96134823014342e-20 5.49517746282588e-20 5.9970272498937e-20 6.468499767980879e-20 6.91055632306782e-20 7.32430241703198e-20 7.709337505714859e-20 8.065677610882799e-20 8.394075755553778e-20 8.694580005026818e-20 8.966581532180999e-20 9.2086704215784e-20 9.420366020228819e-20 9.601123588076699e-20 9.750334298001119e-20 9.867565562310899e-20 9.95251296744558e-20 1.000400692446234e-19 1.002132645387588e-19 1.0001779898941079e-19 9.936571309937279e-20 9.81398877566994e-20 9.618811618116058e-20 9.33118886878038e-20 8.925870223911059e-20 8.37047569373496e-20 7.6226757715818e-20 6.627227407111259e-20 5.3100940180662e-20 3.5722290449327396e-20 1.2814913676450959e-20 -1.7480868600583797e-20 -5.775398156112479e-20 ] } }