{ "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" [ "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 6.8193 6.362382 6.079202 5.873457 5.711766 5.578551 5.465268 5.366722 5.279515 5.201306 5.13041 5.065576 5.005849 4.950481 4.898881 4.850567 4.805146 4.762291 4.721728 4.683223 4.646579 4.611623 4.578207 4.5462 4.513843 4.480499 4.446105 4.410594 4.373891 4.335913 4.296567 4.255752 4.213354 4.169245 4.12328 4.075298 4.025113 3.972512 3.917252 3.859049 3.797572 3.73243 3.663159 3.589199 3.50987 3.42433 3.331524 3.230101 3.118297 2.993741 2.853146 2.69176 2.502352 2.2731 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.8193e-10 6.362382e-10 6.079202000000001e-10 5.873457e-10 5.711766e-10 5.578551000000001e-10 5.465268e-10 5.366722e-10 5.279515e-10 5.201306e-10 5.13041e-10 5.065576e-10 5.005849000000001e-10 4.950481e-10 4.898881000000001e-10 4.850567e-10 4.805145999999999e-10 4.762291e-10 4.721728e-10 4.683223e-10 4.6465790000000003e-10 4.611623e-10 4.578207e-10 4.5462e-10 4.5138429999999997e-10 4.4804990000000004e-10 4.4461050000000003e-10 4.410594e-10 4.3738910000000005e-10 4.335913e-10 4.296567e-10 4.255752e-10 4.213354e-10 4.1692450000000003e-10 4.1232800000000005e-10 4.0752980000000003e-10 4.0251130000000004e-10 3.972512e-10 3.917252e-10 3.8590490000000004e-10 3.7975720000000003e-10 3.73243e-10 3.663159e-10 3.589199e-10 3.50987e-10 3.42433e-10 3.331524e-10 3.230101e-10 3.118297e-10 2.993741e-10 2.8531460000000004e-10 2.69176e-10 2.5023520000000003e-10 2.2731e-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" [ 0.847936 1.03807 1.16353 1.25605 1.32818 1.38631 1.43417 1.47415 1.50787 1.53651 1.56093 1.58178 1.59958 1.61474 1.62759 1.6384 1.64741 1.6548 1.66073 1.66536 1.66879 1.67113 1.67248 1.67291 1.67245 1.671 1.66841 1.66451 1.65912 1.652 1.64289 1.63148 1.6174 1.60022 1.57939 1.55429 1.52414 1.488 1.4447 1.39278 1.33041 1.25527 1.16434 1.0537 0.918117 0.750508 0.541073 0.275897 -0.0653625 -0.513539 -1.11744 -1.95878 -3.18576 -5.09862 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.358543246327424e-19 1.66317149845638e-19 1.8641805789580198e-19 2.0124139611357e-19 2.1279789617461197e-19 2.2211134894805397e-19 2.2977936631837796e-19 2.3618486850111e-19 2.41587408110958e-19 2.46176041990734e-19 2.5008855733096198e-19 2.5342909561285197e-19 2.5628097002137197e-19 2.5870986979851597e-19 2.60768666773206e-19 2.6250061971456e-19 2.63944180861794e-19 2.6512818939432e-19 2.66078280138282e-19 2.6682008791982397e-19 2.67369634505286e-19 2.67744543837642e-19 2.67960837683232e-19 2.6802973127849397e-19 2.6795603115333e-19 2.677237155414e-19 2.6730875179319397e-19 2.66683902905934e-19 2.6582032970020797e-19 2.6467957993679997e-19 2.63219997023226e-19 2.61391913483832e-19 2.5913604878316e-19 2.5638350932594796e-19 2.53046175397326e-19 2.4902471204598597e-19 2.44194149494476e-19 2.384038831392e-19 2.3146645831398e-19 2.23147957230252e-19 2.13155181563994e-19 2.01116426336118e-19 1.8654783420315597e-19 1.6882135192458001e-19 1.4709856046781778e-19 1.2024463812300718e-19 8.66894517888282e-20 4.4203572679069795e-20 -1.04722270239825e-20 -8.227801864477259e-20 -1.7903362578969599e-19 -3.13831154714652e-19 -5.10415023353184e-19 -8.16888982964508e-19 ] } }