{ "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" [ 12.4709 11.635307 11.11744 10.741182 10.445488 10.201871 9.994703 9.814486 9.655006 9.511981 9.382329 9.263764 9.154536 9.053282 8.958917 8.870563 8.787499 8.709128 8.634948 8.564533 8.497519 8.433593 8.372482 8.31395 8.274102 8.232164 8.187905 8.141051 8.09128 8.038204 7.981354 7.92015 7.85387 7.781596 7.702134 7.613896 7.5147 7.401431 7.269428 7.11124 6.913843 6.65116 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.24709e-09 1.1635307e-09 1.111744e-09 1.0741182e-09 1.0445488e-09 1.0201871e-09 9.994703e-10 9.814486000000001e-10 9.655006e-10 9.511981e-10 9.382329e-10 9.263764000000001e-10 9.154536000000001e-10 9.053282e-10 8.958917e-10 8.870563000000001e-10 8.787499000000001e-10 8.709128e-10 8.634948e-10 8.564533000000001e-10 8.497519000000001e-10 8.433593000000001e-10 8.372482e-10 8.31395e-10 8.274101999999999e-10 8.232164e-10 8.187905000000001e-10 8.141051e-10 8.09128e-10 8.038204e-10 7.981354e-10 7.92015e-10 7.85387e-10 7.781596000000001e-10 7.702134e-10 7.613896000000001e-10 7.514700000000001e-10 7.401430999999999e-10 7.269427999999999e-10 7.11124e-10 6.913843e-10 6.65116e-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" [ 0.327735 0.426795 0.49871 0.555589 0.602629 0.642204 0.675996 0.705227 0.730691 0.752869 0.77242 0.789586 0.804549 0.817535 0.82873 0.838292 0.846538 0.853437 0.85906 0.863492 0.866871 0.869233 0.870612 0.87106 0.870843 0.870132 0.868813 0.866747 0.863752 0.859639 0.854066 0.846614 0.836718 0.823775 0.806532 0.783293 0.751476 0.707421 0.643891 0.547874 0.390716 0.101102 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.25089354817888e-20 6.83800970874336e-20 7.99021502559168e-20 8.901517065736512e-20 9.655180948160832e-20 1.0289242345842432e-19 1.0830649869543169e-19 1.1298982117569217e-19 1.170696037228973e-19 1.2062291103250753e-19 1.237553265438336e-19 1.265056229310989e-19 1.2890295980880192e-19 1.309835463685728e-19 1.327771830955584e-19 1.3430918438036738e-19 1.3563033922187905e-19 1.3673568087256898e-19 1.3763658478644482e-19 1.3834666946478337e-19 1.3888804494495167e-19 1.3926647906278466e-19 1.3948741921879296e-19 1.395591967314048e-19 1.3952442949873345e-19 1.3941051474099457e-19 1.3919918764471104e-19 1.3886817795485377e-19 1.3838832605692416e-19 1.3772935081278914e-19 1.3683645778201728e-19 1.3564251576419711e-19 1.3405700178025344e-19 1.31983304579952e-19 1.2922067143270658e-19 1.2549737318362945e-19 1.2039972782923008e-19 1.1334133872629568e-19 1.0316271065435328e-19 8.777909139441792e-20 6.259960405724928e-20 1.619832607161216e-20 ] } }