{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" [ 7.87276 7.345257 7.018331 6.780802 6.594134 6.440339 6.309556 6.195786 6.095108 6.004817 5.92297 5.84812 5.779165 5.715245 5.655673 5.599895 5.547458 5.497983 5.451153 5.406701 5.364395 5.324039 5.285461 5.24851 5.211154 5.172659 5.132952 5.091955 5.049582 5.005736 4.960312 4.913192 4.864244 4.813321 4.760256 4.704861 4.646923 4.586196 4.522399 4.455204 4.38423 4.309024 4.229052 4.143666 4.052082 3.953328 3.846184 3.729094 3.600017 3.456219 3.293904 3.107587 2.888918 2.62425 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.872760000000001e-10 7.345257e-10 7.018331e-10 6.780802000000001e-10 6.594134e-10 6.440339e-10 6.309556e-10 6.195786e-10 6.095108e-10 6.004817e-10 5.922970000000001e-10 5.84812e-10 5.779165e-10 5.715245000000001e-10 5.655673e-10 5.599895e-10 5.547458e-10 5.497983e-10 5.451153e-10 5.406701e-10 5.364395e-10 5.324039e-10 5.285461e-10 5.24851e-10 5.211153999999999e-10 5.172659e-10 5.132952000000001e-10 5.091955e-10 5.049582e-10 5.005736e-10 4.960312000000001e-10 4.913192e-10 4.864244e-10 4.813321000000001e-10 4.760256e-10 4.704861e-10 4.6469230000000004e-10 4.5861960000000004e-10 4.522399e-10 4.4552040000000005e-10 4.38423e-10 4.309024e-10 4.2290520000000006e-10 4.143666e-10 4.0520820000000004e-10 3.9533280000000003e-10 3.846184e-10 3.729094e-10 3.6000169999999997e-10 3.4562190000000003e-10 3.293904e-10 3.107587e-10 2.888918e-10 2.62425e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0140406 0.0209865 0.0271236 0.0327494 0.0379758 0.0428661 0.0474674 0.0518052 0.0558802 0.0597047 0.063286 0.0666189 0.0697036 0.0725442 0.0751358 0.0774725 0.0795503 0.0813668 0.0829204 0.0842012 0.0852037 0.0859224 0.0863556 0.0865055 0.0863364 0.0857707 0.0847041 0.0830039 0.0805013 0.076979 0.0721565 0.065673 0.0570531 0.045649 0.0306046 0.0107589 -0.0154912 -0.0503644 -0.0970341 -0.160069 -0.246209 -0.365582 -0.533928 -0.776313 -1.1341 -1.67842 -2.53752 -3.95621 -6.43581 -11.0957 -20.7291 -43.405 -107.677 -349.938 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.24955212473404e-21 3.3624079929441e-21 4.34567981499624e-21 5.2470323457519596e-21 6.084393941745719e-21 6.86790638107074e-21 7.60511591567316e-21 8.30010809596968e-21 8.95299507432468e-21 9.56574752799798e-21 1.01395350459324e-20 1.0673524496278259e-20 1.116774792256824e-20 1.162286221722228e-20 1.2038082313689719e-20 1.2412462927756499e-20 1.274536318876902e-20 1.303639857433512e-20 1.328531273619336e-20 1.349051951947608e-20 1.3651137727034578e-20 1.3766286161720158e-20 1.383569245350504e-20 1.3859709081248698e-20 1.3832616274367757e-20 1.3741981142182378e-20 1.357109298239994e-20 1.329869091108726e-20 1.2897730186662419e-20 1.23333955108686e-20 1.15607458291221e-20 1.0521974608468198e-20 9.14091437172654e-21 7.3137761165466e-21 4.903397501291639e-21 1.72376581875426e-21 -2.48196386726208e-21 -8.06926648654296e-21 -1.554657677212194e-20 -2.5645881162774596e-20 -3.94470306880506e-20 -5.85726938210988e-20 -8.554469658383519e-20 -1.243790549270442e-19 -1.8170285206194e-19 -2.68912530603828e-19 -4.06555525230768e-19 -6.33854722119714e-19 -1.0311304402863539e-18 -1.77772712778738e-18 -3.3211679663849396e-18 -6.954247679876999e-18 -1.72517573419218e-17 -5.60662486948692e-17 ] } }