{ "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" [ "Hf" "Hf" "Hf" "Hf" ] } "a" { "source-value" [ 6.85532 6.395988 6.111312 5.904479 5.741934 5.608016 5.494134 5.395067 5.3074 5.228777 5.157507 5.09233 5.032287 4.976627 4.924754 4.876185 4.830524 4.787443 4.746665 4.707957 4.671119 4.635979 4.602386 4.57021 4.548306 4.525252 4.500923 4.475167 4.447808 4.418632 4.387381 4.353737 4.317303 4.277574 4.233893 4.185389 4.13086 4.068596 3.996034 3.909077 3.800567 3.65617 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.85532e-10 6.395988e-10 6.111312e-10 5.904479e-10 5.741934e-10 5.608016000000001e-10 5.494134e-10 5.395067e-10 5.307400000000001e-10 5.228777e-10 5.157507e-10 5.092329999999999e-10 5.032287e-10 4.976626999999999e-10 4.924754e-10 4.876185000000001e-10 4.830523999999999e-10 4.787443e-10 4.746665e-10 4.707957e-10 4.671119e-10 4.635979e-10 4.602386e-10 4.5702100000000005e-10 4.5483060000000006e-10 4.525252e-10 4.5009230000000005e-10 4.475167e-10 4.4478080000000004e-10 4.418632e-10 4.3873810000000004e-10 4.353737e-10 4.317303e-10 4.277574000000001e-10 4.233893e-10 4.185389e-10 4.1308600000000004e-10 4.0685960000000006e-10 3.996034e-10 3.909077e-10 3.800567e-10 3.65617e-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" [ 1.45488 3.43344 3.88789 4.24337 4.53468 4.77983 4.98955 5.17082 5.3285 5.4661 5.58631 5.6912 5.78241 5.86327 5.94985 6.04218 6.13512 6.22329 6.30195 6.36744 6.41726 6.45012 6.46572 6.46888 6.46736 6.46235 6.45303 6.43839 6.4171 6.38745 6.34716 6.29314 6.22116 6.12529 5.99692 5.82317 5.58402 5.24931 4.85548 4.36451 3.44095 1.21333 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3309747412739195e-19 5.50097734224096e-19 6.22908651356226e-19 6.798628263416579e-19 7.265358338667119e-19 7.658131940492219e-19 7.9941404241747e-19 8.284566982619879e-19 8.537198194269e-19 8.7576576991074e-19 8.95025535228054e-19 9.1183076594208e-19 9.26444219020794e-19 9.39399419283318e-19 9.532710645804898e-19 9.68063961442212e-19 9.82954591078608e-19 9.97080982460586e-19 1.00968370386363e-18 1.020176358639696e-18 1.028158402630284e-18 1.0334231550496079e-18 1.035922550598648e-18 1.036428838414992e-18 1.036185307566624e-18 1.03538261707299e-18 1.0338893884501019e-18 1.031543801857926e-18 1.02813276780414e-18 1.02338231408433e-18 1.0169271444259438e-18 1.008272186249076e-18 9.96739718837544e-19 9.81379651447386e-19 9.60812509996728e-19 9.329746909809779e-19 8.946586367788679e-19 8.41032182662254e-19 7.779336602854319e-19 6.9927159408593395e-19 5.513009688762299e-19 1.94396897533122e-19 ] } }