{ "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 7.31806 6.827724 6.523833 6.30304 6.129523 5.986565 5.864997 5.759243 5.665658 5.581729 5.505648 5.436072 5.371976 5.312559 5.257185 5.205337 5.156595 5.110606 5.067076 5.025755 4.98643 4.948918 4.913057 4.87871 4.855327 4.830718 4.804745 4.777251 4.748045 4.7169 4.683539 4.647624 4.608731 4.56632 4.519691 4.467912 4.409703 4.343236 4.265775 4.172949 4.057115 3.90297 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.31806e-10 6.827724000000001e-10 6.523833e-10 6.30304e-10 6.129523e-10 5.986565e-10 5.864997e-10 5.759242999999999e-10 5.665657999999999e-10 5.581729e-10 5.505648e-10 5.436072000000001e-10 5.371976e-10 5.312559e-10 5.257185e-10 5.205337e-10 5.156595e-10 5.110606e-10 5.067076000000001e-10 5.025755e-10 4.986430000000001e-10 4.948918e-10 4.913057e-10 4.87871e-10 4.855327e-10 4.830718e-10 4.804745e-10 4.777251e-10 4.748045e-10 4.716900000000001e-10 4.683538999999999e-10 4.6476240000000005e-10 4.608731e-10 4.56632e-10 4.519691e-10 4.4679120000000004e-10 4.4097030000000007e-10 4.343236e-10 4.2657749999999997e-10 4.172949e-10 4.0571149999999995e-10 3.90297e-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" [ 0.696604 1.20778 1.61645 1.94698 2.18316 2.37296 2.52969 2.66152 2.77377 2.87009 2.97244 3.05395 3.11638 3.17022 3.21642 3.25578 3.28894 3.31646 3.33882 3.35642 3.36962 3.37872 3.38401 3.38572 3.3849 3.3822 3.37723 3.36946 3.35826 3.34277 3.3219 3.29418 3.25762 3.20946 3.14576 3.06074 2.94557 2.7861 2.55827 2.21761 1.67215 0.695872 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1160826519509359e-19 1.93507689501252e-19 2.5898384200293e-19 3.1194058628653196e-19 3.4978079402834397e-19 3.8019010654166397e-19 4.0530102092634595e-19 4.2642251549236796e-19 4.444069482090179e-19 4.5983911354770595e-19 4.76237391396696e-19 4.8929673314043e-19 4.992991218664919e-19 5.079252408639479e-19 5.15327296913028e-19 5.2163346414445195e-19 5.26946281862796e-19 5.31355471959564e-19 5.34937938913188e-19 5.37757769789028e-19 5.398726429459079e-19 5.41330623682848e-19 5.42178175122234e-19 5.42452147326648e-19 5.4232076884266e-19 5.4188818115148e-19 5.4109189936438195e-19 5.39847008119764e-19 5.3805257028968395e-19 5.355707986836179e-19 5.322270560484599e-19 5.277858224190119e-19 5.21928264645108e-19 5.14212181975764e-19 5.04006316817184e-19 4.90384611074916e-19 4.719323427811379e-19 4.463824319987399e-19 4.0988004174631796e-19 3.55300292532474e-19 2.6790796585430997e-19 1.114909858654848e-19 ] } }