{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 7.69704 7.18131 6.861681 6.629454 6.446951 6.296589 6.168725 6.057494 5.959063 5.870788 5.790766 5.717587 5.650172 5.587678 5.529435 5.474903 5.423636 5.375265 5.329481 5.28602 5.244659 5.205204 5.167486 5.13136 5.106766 5.080882 5.053565 5.024647 4.993929 4.96117 4.926082 4.888307 4.8474 4.802792 4.753749 4.699289 4.638065 4.568156 4.486684 4.38905 4.267217 4.10509 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.697040000000001e-10 7.18131e-10 6.861681e-10 6.629454000000001e-10 6.446951e-10 6.296589e-10 6.168725e-10 6.057494e-10 5.959063e-10 5.870788e-10 5.790766e-10 5.717587e-10 5.650172e-10 5.587678e-10 5.529435e-10 5.474903e-10 5.423636e-10 5.375265e-10 5.329481e-10 5.28602e-10 5.244659000000001e-10 5.205204e-10 5.167486000000001e-10 5.13136e-10 5.106766000000001e-10 5.080882e-10 5.053565e-10 5.024647e-10 4.993929e-10 4.96117e-10 4.926082000000001e-10 4.888307000000001e-10 4.8474e-10 4.802792000000001e-10 4.753749e-10 4.699289e-10 4.6380650000000005e-10 4.568156e-10 4.4866840000000007e-10 4.3890500000000005e-10 4.2672169999999997e-10 4.10509e-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" [ 0.519067 0.681119 0.806112 0.91269 1.01476 1.13159 1.27532 1.44243 1.62015 1.79553 1.95966 2.10802 2.23899 2.35268 2.4501 2.53259 2.60157 2.65836 2.70412 2.7399 2.76656 2.78485 2.79544 2.79886 2.79722 2.79186 2.78197 2.76655 2.74428 2.71347 2.67193 2.61669 2.54375 2.44757 2.32009 2.14905 1.91608 1.5912 1.12256 0.412719 -0.744136 -2.86925 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.316370120287936e-20 1.0912729377826753e-19 1.2915338001463298e-19 1.4622905800379522e-19 1.6258247477230084e-19 1.8130070423310724e-19 2.043287888038656e-19 2.3110276231405443e-19 2.59576645218912e-19 2.876756187945024e-19 3.1397214367169283e-19 3.377420360178816e-19 3.587257432204992e-19 3.769408892223744e-19 3.92549293862208e-19 4.057656488071872e-19 4.1681746313746566e-19 4.259162241669888e-19 4.3324778438376965e-19 4.38980372332992e-19 4.432517752040448e-19 4.46182156243488e-19 4.478788612849153e-19 4.484268056892288e-19 4.481640487234176e-19 4.473052820546688e-19 4.457207293766976e-19 4.43250173027424e-19 4.396821256929024e-19 4.347458195242177e-19 4.2809037784141442e-19 4.192399541881153e-19 4.0755367791600005e-19 3.921439431771456e-19 3.7171939561518724e-19 3.44315766693024e-19 3.069898579582464e-19 2.54938343901696e-19 1.798539387445248e-19 6.612487327599552e-20 -1.1922373018956288e-19 -4.597045269230401e-19 ] } }