{ "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" [ "Pb" "Pb" ] } "a" { "source-value" [ 4.821 4.497975 4.297777 4.152323 4.038013 3.943835 3.863748 3.794079 3.732427 3.677136 3.627016 3.58118 3.538955 3.499812 3.463332 3.429176 3.397065 3.366769 3.338092 3.310871 3.284964 3.260252 3.236627 3.214 3.198596 3.182383 3.165274 3.147161 3.12792 3.107402 3.085425 3.061765 3.036143 3.008203 2.977485 2.943374 2.905026 2.861239 2.81021 2.749057 2.672748 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.821e-10 4.4979750000000007e-10 4.2977770000000003e-10 4.1523230000000003e-10 4.0380130000000004e-10 3.943835e-10 3.863748e-10 3.794079e-10 3.7324270000000003e-10 3.677136e-10 3.627016e-10 3.58118e-10 3.538955e-10 3.499812e-10 3.463332e-10 3.429176e-10 3.3970650000000003e-10 3.366769e-10 3.338092e-10 3.3108710000000005e-10 3.284964e-10 3.260252e-10 3.236627e-10 3.214e-10 3.1985960000000005e-10 3.182383e-10 3.1652740000000004e-10 3.147161e-10 3.1279200000000003e-10 3.107402e-10 3.085425e-10 3.061765e-10 3.036143e-10 3.008203e-10 2.977485e-10 2.943374e-10 2.905026e-10 2.861239e-10 2.8102100000000004e-10 2.749057e-10 2.672748e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.10731 1.65727 2.14176 2.58544 2.99791 3.3851 3.74933 4.09174 4.41342 4.71504 4.99732 5.26004 5.50316 5.72723 5.93226 6.11784 6.28302 6.42746 6.55078 6.65259 6.73257 6.79054 6.82567 6.83749 6.83154 6.81152 6.77356 6.71239 6.62091 6.48948 6.3045 6.04703 5.68967 5.1917 4.49087 3.48736 2.01468 -0.22194 -3.79304 -9.91227 -21.581 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.774106193978048e-19 2.6552392483532164e-19 3.4314777993646085e-19 4.1423315224811524e-19 4.803181313262529e-19 5.42352807907008e-19 6.007088869664064e-19 6.555690166392192e-19 7.071078341771137e-19 7.554326854136833e-19 8.006589270656257e-19 8.427513112472832e-19 8.817034292521729e-19 9.176034007944384e-19 9.50452828050701e-19 9.801860217795073e-19 1.0066507752018816e-18 1.0297926143127168e-18 1.0495506564004223e-18 1.0658624165767872e-18 1.0786766251899457e-18 1.0879644430607233e-18 1.0935928895295937e-18 1.0954866622953792e-18 1.0945333672060033e-18 1.0913258096111616e-18 1.0852439471586048e-18 1.0754434327691713e-18 1.060786721042093e-18 1.0397293137149186e-18 1.01009225058336e-18 9.688410091276226e-19 9.115856254067136e-19 8.31802036220736e-19 7.195166921052097e-19 5.587366660313088e-19 3.2278731943933437e-19 -3.5558707922035203e-20 -6.077120009759233e-19 -1.5881207253057216e-18 -3.45765736534848e-18 ] } }