{ "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 4.843986 4.808203 4.771294 4.733186 4.693798 4.653042 4.610818 4.567018 4.521519 4.474183 4.424857 4.373365 4.319509 4.263061 4.203759 4.141299 4.075325 4.005419 3.931081 3.851711 3.76658 3.674784 3.575189 3.466349 3.346367 3.212701 3.061822 2.888632 2.68537 2.43935 ] "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 4.843986000000001e-10 4.808203e-10 4.771294e-10 4.733186e-10 4.693798e-10 4.6530420000000003e-10 4.6108180000000003e-10 4.5670180000000004e-10 4.5215189999999997e-10 4.474183e-10 4.4248570000000007e-10 4.373365e-10 4.319509e-10 4.2630610000000005e-10 4.203759e-10 4.141299e-10 4.0753250000000006e-10 4.005419e-10 3.931081e-10 3.851711e-10 3.76658e-10 3.674784e-10 3.575189e-10 3.4663490000000003e-10 3.346367e-10 3.212701e-10 3.061822e-10 2.888632e-10 2.68537e-10 2.4393500000000005e-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 3.38389 3.37802 3.36743 3.35134 3.32881 3.29872 3.25976 3.21032 3.14848 3.07188 2.97765 2.86227 2.72135 2.5494 2.33947 2.08271 1.76767 1.37938 0.897982 0.296708 -0.461179 -1.42721 -2.67538 -4.31495 -6.51289 -9.53465 -13.8238 -20.1693 -30.0921 -46.8662 ] "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 5.421589490026259e-19 5.41218471318468e-19 5.39521766263062e-19 5.369438640589559e-19 5.333341601025539e-19 5.285132106108479e-19 5.22271130444784e-19 5.14349969166288e-19 5.04442108861632e-19 4.92169435845192e-19 4.7707212542301e-19 4.58586211419918e-19 4.3600833829359e-19 4.0845891107195997e-19 3.7482441699439795e-19 3.33686929739814e-19 2.83211957062278e-19 2.2100104054069197e-19 1.438725778152588e-19 4.7537862472087204e-20 -7.38890217891486e-20 -2.28664251381114e-19 -4.28643132307092e-19 -6.913312066878299e-19 -1.0434800177812258e-18 -1.5276193443368097e-18 -2.21481693530892e-18 -3.23147811841362e-18 -4.821285948799139e-18 -7.50879305643708e-18 ] } }