{ "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" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.2891 4.001714 3.823604 3.694198 3.5925 3.508713 3.437462 3.375479 3.320629 3.271439 3.226848 3.186069 3.148503 3.113679 3.081224 3.050836 3.022268 2.995314 2.969801 2.945583 2.922535 2.900549 2.879531 2.8594 2.845695 2.831272 2.816049 2.799935 2.782818 2.764563 2.745011 2.723961 2.701166 2.676308 2.648979 2.618632 2.584515 2.545559 2.50016 2.445754 2.377864 2.28752 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2891000000000007e-10 4.001714e-10 3.8236040000000004e-10 3.6941980000000004e-10 3.5925e-10 3.5087130000000005e-10 3.437462e-10 3.375479e-10 3.320629e-10 3.271439e-10 3.226848e-10 3.186069e-10 3.148503e-10 3.113679e-10 3.081224e-10 3.050836e-10 3.022268e-10 2.9953140000000003e-10 2.969801e-10 2.9455830000000004e-10 2.922535e-10 2.900549e-10 2.8795310000000003e-10 2.8594e-10 2.8456950000000003e-10 2.8312719999999997e-10 2.816049e-10 2.799935e-10 2.782818e-10 2.764563e-10 2.7450109999999997e-10 2.723961e-10 2.7011660000000005e-10 2.6763080000000003e-10 2.6489790000000004e-10 2.618632e-10 2.5845150000000004e-10 2.545559e-10 2.5001600000000005e-10 2.4457540000000003e-10 2.377864e-10 2.2875200000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 1.26747 1.54848 1.77623 1.96684 2.12941 2.62283 2.76815 2.89555 3.0075 3.10594 3.1924 3.26814 3.33419 3.39145 3.44064 3.48241 3.51732 3.54585 3.56844 3.58547 3.59727 3.60415 3.60638 3.6053 3.60176 3.59521 3.58495 3.57009 3.5495 3.52167 3.48459 3.43551 3.37063 3.2845 3.16911 3.01213 2.79382 2.48038 2.38236 1.70457 0.478415 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.0307108015653763e-19 2.480938453776384e-19 2.845834179163584e-19 3.151225064854272e-19 3.411690918097728e-19 4.202236906332864e-19 4.43506521286752e-19 4.63918251435744e-19 4.818546187056e-19 4.976264453607552e-19 5.114788644241921e-19 5.236137501501312e-19 5.3419612673051525e-19 5.43370190061216e-19 5.512512968589313e-19 5.579435886040128e-19 5.635367871872256e-19 5.68107797086368e-19 5.717271140727552e-19 5.744556208579776e-19 5.763461892705216e-19 5.774484867856321e-19 5.778057721720705e-19 5.776327370970241e-19 5.770655665732608e-19 5.760161408866368e-19 5.743723076736961e-19 5.719914732151872e-19 5.686925915529601e-19 5.642337340172737e-19 5.582928631073472e-19 5.504293802524608e-19 5.400344583367104e-19 5.2623491110176005e-19 5.077473950743488e-19 4.825964264810304e-19 4.476193086723456e-19 3.974006846699904e-19 3.816961494329088e-19 2.731022202517056e-19 7.66505328040032e-20 ] } }