{ "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" [ "Fm" "Fm" "Fm" "Fm" "Fm" "Fm" "Fm" "Fm" ] } "a" { "source-value" [ 11.141 10.394507 9.931861 9.595723 9.33156 9.11392 8.928843 8.767842 8.625368 8.497593 8.381767 8.275844 8.178263 8.087807 8.003504 7.924571 7.850364 7.78035 7.71408 7.651173 7.591305 7.534195 7.479601 7.42731 7.391712 7.354247 7.314707 7.27285 7.228387 7.180971 7.130184 7.075507 7.016296 6.951729 6.880742 6.801914 6.713297 6.612108 6.494182 6.352864 6.176519 5.94185 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.1141000000000001e-09 1.0394507000000002e-09 9.931861e-10 9.595723e-10 9.33156e-10 9.11392e-10 8.928843e-10 8.767842e-10 8.625368e-10 8.497593000000001e-10 8.381767e-10 8.275844e-10 8.178263e-10 8.087807e-10 8.003504e-10 7.924571000000001e-10 7.850364e-10 7.780350000000001e-10 7.71408e-10 7.651173e-10 7.591305e-10 7.534195000000001e-10 7.479601e-10 7.427310000000001e-10 7.391712e-10 7.354247e-10 7.314707000000001e-10 7.27285e-10 7.228387e-10 7.180971e-10 7.130184e-10 7.075507e-10 7.016296e-10 6.951729000000001e-10 6.880742e-10 6.801914e-10 6.713297e-10 6.612108000000001e-10 6.494182000000001e-10 6.352864000000001e-10 6.176519e-10 5.94185e-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" [ 0.332653 0.498629 0.644501 0.778198 0.903167 1.02023 1.13067 1.23448 1.33199 1.4234 1.50891 1.58869 1.66252 1.73036 1.79244 1.84863 1.89862 1.94231 1.97958 2.01031 2.03438 2.05165 2.06229 2.06588 2.06407 2.05799 2.04641 2.02771 1.99985 1.95982 1.90351 1.82516 1.71645 1.56499 1.35182 1.04679 0.599109 -0.0809691 -1.16641 -3.02644 -6.57139 -14.6445 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.329688594389824e-20 7.988917262528833e-20 1.0326044342822208e-19 1.2468106419533183e-19 1.4470330520780738e-19 1.634588653838784e-19 1.8115330398399362e-19 1.9778549948451842e-19 2.134083237139392e-19 2.2805382020467203e-19 2.417540324891328e-19 2.545361975698752e-19 2.663650675612416e-19 2.772342337567488e-19 2.8718054621867523e-19 2.961831766509504e-19 3.0419245757832963e-19 3.111923672346048e-19 3.171636795003264e-19 3.2208716825604482e-19 3.2594360738231044e-19 3.28710566406432e-19 3.3041528233096323e-19 3.309904637378304e-19 3.3070046976946565e-19 3.2972634638401924e-19 3.2787102585713278e-19 3.248749555762368e-19 3.20411291510688e-19 3.139977784976256e-19 3.0497592194590084e-19 2.924228681219328e-19 2.75005606077216e-19 2.5073903897857925e-19 2.1658543995298561e-19 1.6771424648872323e-19 9.598784331108673e-20 -1.297267990272173e-20 -1.868794832267328e-19 -4.848891412253952e-19 -1.0528527424158912e-18 -2.34630755233056e-18 ] } }