{ "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" [ "B" "B" "B" "B" ] } "a" { "source-value" [ 3.14495 2.934226 2.803628 2.708741 2.634172 2.572735 2.520491 2.475042 2.434824 2.398755 2.366059 2.336159 2.308613 2.283078 2.259281 2.236999 2.216052 2.196288 2.177581 2.159823 2.142923 2.126802 2.111391 2.09663 2.081707 2.06633 2.050468 2.034091 2.017164 1.999649 1.981504 1.962681 1.943128 1.922785 1.901588 1.879459 1.856315 1.832056 1.806571 1.779729 1.751377 1.721335 1.689388 1.655279 1.618694 1.579245 1.536445 1.489671 1.438109 1.380666 1.315826 1.241398 1.154047 1.04832 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.14495e-10 2.934226e-10 2.8036279999999996e-10 2.708741e-10 2.634172e-10 2.572735e-10 2.520491e-10 2.475042e-10 2.434824e-10 2.398755e-10 2.366059e-10 2.336159e-10 2.308613e-10 2.2830780000000003e-10 2.2592810000000003e-10 2.236999e-10 2.216052e-10 2.196288e-10 2.177581e-10 2.159823e-10 2.1429230000000003e-10 2.1268020000000002e-10 2.1113909999999998e-10 2.0966300000000003e-10 2.0817070000000003e-10 2.06633e-10 2.050468e-10 2.0340910000000002e-10 2.0171640000000002e-10 1.999649e-10 1.981504e-10 1.962681e-10 1.943128e-10 1.922785e-10 1.9015880000000002e-10 1.879459e-10 1.856315e-10 1.832056e-10 1.806571e-10 1.779729e-10 1.751377e-10 1.721335e-10 1.689388e-10 1.655279e-10 1.6186940000000002e-10 1.579245e-10 1.536445e-10 1.489671e-10 1.4381090000000002e-10 1.380666e-10 1.315826e-10 1.241398e-10 1.1540470000000001e-10 1.0483199999999999e-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 0.0447553 0.760942 0.866792 0.926618 0.985753 1.03816 1.08531 1.12822 1.16764 1.20411 1.23806 1.26982 1.29966 1.32781 1.35444 1.37972 1.40376 1.42668 1.44859 1.46955 1.48965 1.50895 1.52538 1.48286 1.34949 1.12162 0.805712 0.419885 -0.00890704 -0.449842 -0.871728 -1.24361 -1.53375 -1.70821 -1.80587 -1.91281 -2.03093 -2.16202 -2.30829 -2.47244 -2.65788 -3.68884 -6.76677 -10.4771 -13.7488 -15.5857 -17.1537 -19.9313 -24.6835 -29.2344 -41.0922 -53.8103 -83.7528 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 7.17058959076602e-21 1.219163492229228e-19 1.3887538889381279e-19 1.484605708243812e-19 1.579350423495402e-19 1.6633156943534398e-19 1.73885832264654e-19 1.8076077220114798e-19 1.87076552492376e-19 1.9291969067657398e-19 1.9835908034900397e-19 2.0344759333858798e-19 2.0822848841444398e-19 2.1273861563915398e-19 2.17005212015496e-19 2.2105551454624797e-19 2.2490714717438397e-19 2.2857933601951197e-19 2.32089705024606e-19 2.3544786724946996e-19 2.3866824228381e-19 2.4176044318743e-19 2.44392819397092e-19 2.37580364349324e-19 2.16212134581666e-19 1.79703335622708e-19 1.290892940133408e-19 6.7272993596709e-20 -1.427065136610336e-21 -7.20726341391828e-20 -1.3966622328035518e-19 -1.99248288380874e-19 -2.4573384123974995e-19 -2.73685414796514e-19 -2.89332271804158e-19 -3.06465948728154e-19 -3.25390859128962e-19 -3.46393792624068e-19 -3.6982883024958597e-19 -3.96128559696696e-19 -4.25839323197592e-19 -5.910173254564559e-19 -1.084156078165218e-18 -1.6786164812081398e-18 -2.2028006105539198e-18 -2.4971044364533796e-18 -2.7483257326645798e-18 -3.1933463145244197e-18 -3.9547326945338994e-18 -4.68386725890096e-18 -6.5836962679654795e-18 -8.62136053285302e-18 -1.3418677919207519e-17 ] } }