{ "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 8.254776 8.193797 8.1309 8.065959 7.998837 7.929383 7.857429 7.782788 7.705252 7.624586 7.540528 7.45278 7.361003 7.264809 7.163751 7.057311 6.944883 6.825754 6.699073 6.563818 6.418743 6.262311 6.09259 5.907112 5.702648 5.474865 5.217748 4.922612 4.576228 4.15698 ] "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 8.254776e-10 8.193797e-10 8.1309e-10 8.065959e-10 7.998837000000001e-10 7.929383e-10 7.857429e-10 7.782788000000001e-10 7.705252e-10 7.624586e-10 7.540528000000001e-10 7.45278e-10 7.361003000000001e-10 7.264809e-10 7.163751000000001e-10 7.057311e-10 6.944883e-10 6.825754e-10 6.699073000000001e-10 6.563818e-10 6.418743e-10 6.262311000000001e-10 6.09259e-10 5.907112e-10 5.702648e-10 5.474865000000001e-10 5.217748e-10 4.922612e-10 4.5762280000000003e-10 4.15698e-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 0.870579 0.869023 0.866204 0.861915 0.855914 0.847838 0.8373 0.824009 0.807272 0.786351 0.760376 0.728464 0.68944 0.641418 0.582438 0.509367 0.418508 0.304902 0.161883 -0.0198888 -0.253016 -0.556742 -0.958898 -1.50291 -2.25827 -3.34164 -4.9604 -7.52236 -11.8993 -20.2711 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.2508935914399e-20 6.838009765080299e-20 7.990215091421399e-20 8.90151713907426e-20 9.655181027707858e-20 1.0289242430613359e-19 1.083064995877464e-19 1.129898221065918e-19 1.1706960468740938e-19 1.2062291202629458e-19 1.23755327563428e-19 1.2650562397335238e-19 1.289029608708066e-19 1.30983547447719e-19 1.3277718418948199e-19 1.343091854869128e-19 1.356303403393092e-19 1.3673568199910578e-19 1.37636585920404e-19 1.383466706045928e-19 1.3888804608922138e-19 1.392664802101722e-19 1.394874203680008e-19 1.3955919788120397e-19 1.3948213318510859e-19 1.3923283450085818e-19 1.387811809077336e-19 1.38094007349411e-19 1.3713254115134758e-19 1.3583862330172918e-19 1.3415024956482e-19 1.320207966005706e-19 1.293392335682448e-19 1.259873198322534e-19 1.218256660254384e-19 1.1671279995101758e-19 1.10460465854496e-19 1.027664932227012e-19 9.33168554353692e-20 8.160959055306779e-20 6.705237387420719e-20 4.88506860059868e-20 2.5936516004182197e-20 -3.18653706382992e-21 -4.05376323228144e-20 -8.919990235664278e-20 -1.5363239699893318e-19 -2.4079272850049397e-19 -3.61814742726318e-19 -5.3538975272397595e-19 -7.9474369752936e-19 -1.2052149424536238e-18 -1.90647804209562e-18 -3.24778827654774e-18 ] } }