{ "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" [ 5.54362 5.172178 4.941973 4.774716 4.643273 4.534979 4.442888 4.362776 4.291884 4.228305 4.170672 4.117966 4.069412 4.024402 3.982454 3.943179 3.906255 3.871417 3.838442 3.80714 3.777351 3.748934 3.721769 3.69575 3.678037 3.659394 3.63972 3.618892 3.596768 3.573174 3.547903 3.520696 3.491233 3.459106 3.423783 3.384559 3.340464 3.290114 3.231435 3.161117 3.073369 2.9566 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.54362e-10 5.172178e-10 4.941973e-10 4.774716e-10 4.643273e-10 4.534979e-10 4.442888e-10 4.3627760000000003e-10 4.2918839999999995e-10 4.228305e-10 4.1706719999999997e-10 4.117966e-10 4.069412e-10 4.024402e-10 3.9824540000000003e-10 3.9431790000000004e-10 3.906255e-10 3.8714170000000004e-10 3.8384420000000004e-10 3.80714e-10 3.777351e-10 3.7489340000000003e-10 3.7217690000000005e-10 3.69575e-10 3.678037e-10 3.659394e-10 3.63972e-10 3.6188920000000003e-10 3.596768e-10 3.573174e-10 3.547903e-10 3.5206960000000003e-10 3.491233e-10 3.459106e-10 3.423783e-10 3.384559e-10 3.340464e-10 3.290114e-10 3.231435e-10 3.1611170000000003e-10 3.073369e-10 2.9566e-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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0435115 0.425191 1.04455 1.72779 2.35378 2.85464 3.20322 3.39948 3.45967 3.43353 3.35392 3.22097 3.03806 2.81295 2.55889 2.29585 2.03917 1.74161 1.38211 0.941352 0.391323 -0.310346 -1.23085 -2.48356 -4.276 -7.03442 -11.8004 ] "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 0.0 0.0 0.0 0.0 0.0 0.0 6.9713108610291e-21 6.812310851870939e-20 1.6735536030447e-19 2.76822476645886e-19 3.7711713175765197e-19 4.573637506481759e-19 5.13212423756148e-19 5.44656742375032e-19 5.543002435350779e-19 5.50112153813802e-19 5.37357225630528e-19 5.16056287281498e-19 4.86750874469004e-19 4.506842762610299e-19 4.0997937669762596e-19 3.6783572251689e-19 3.2671105267537795e-19 2.79036684754074e-19 2.21438434761774e-19 1.5082121787691677e-19 6.26968566946782e-20 -4.9722910965536396e-20 -1.9720391099589e-19 -3.97910180113704e-19 -6.850907286984e-19 -1.127038335774228e-18 -1.89063251518536e-18 ] } }