{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.96414 8.363509 7.991262 7.720804 7.508257 7.333143 7.184229 7.054687 6.940052 6.837244 6.74405 6.658824 6.58031 6.507528 6.439698 6.376188 6.316481 6.260147 6.206826 6.156211 6.108041 6.06209 6.018163 5.97609 5.933556 5.889724 5.844513 5.797833 5.749586 5.699662 5.647942 5.59429 5.538556 5.480574 5.420153 5.357079 5.29111 5.221965 5.149324 5.072815 4.992002 4.906371 4.815313 4.718091 4.613811 4.501367 4.379371 4.246049 4.09908 3.935349 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.96414e-10 8.363509000000001e-10 7.991262e-10 7.720804e-10 7.508257000000001e-10 7.333143e-10 7.184229000000001e-10 7.054687e-10 6.940052e-10 6.837244e-10 6.74405e-10 6.658824e-10 6.580310000000001e-10 6.507528e-10 6.439698e-10 6.376188e-10 6.316481e-10 6.260147e-10 6.206826000000001e-10 6.156211e-10 6.108041000000001e-10 6.062090000000001e-10 6.018163000000001e-10 5.976090000000001e-10 5.933556e-10 5.889724e-10 5.844513e-10 5.797833e-10 5.749586e-10 5.699662e-10 5.647942e-10 5.59429e-10 5.538556e-10 5.480574e-10 5.420153e-10 5.357079e-10 5.29111e-10 5.221965e-10 5.149324e-10 5.072815000000001e-10 4.992002000000001e-10 4.906371e-10 4.815313e-10 4.718091000000001e-10 4.613811e-10 4.5013670000000004e-10 4.379371e-10 4.246049e-10 4.09908e-10 3.935349e-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" [ 0.0606028 0.404369 1.0271 1.64824 2.13402 2.49318 2.76128 2.96715 3.13049 3.26417 3.37637 3.47223 3.555 3.62675 3.68889 3.74239 3.78799 3.82625 3.85766 3.88262 3.9015 3.91461 3.92228 3.92478 3.9221 3.91348 3.89788 3.87415 3.84094 3.7967 3.73968 3.66789 3.57914 3.47106 3.34122 3.18731 3.00754 2.80128 2.56955 2.3098 2.01152 1.6488 1.17757 0.530075 -0.39196 -1.71674 -3.60726 -6.28135 -10.0997 -15.7864 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.70963901149752e-21 6.478705633139459e-20 1.6455956207813997e-19 2.64077161522416e-19 3.41907698048868e-19 3.99451474035612e-19 4.42405829593152e-19 4.7538983995731e-19 5.015597930970659e-19 5.22977690340378e-19 5.40954112173858e-19 5.56312577387382e-19 5.69573793387e-19 5.8106941073595e-19 5.910253363396259e-19 5.99596981331526e-19 6.069029067825659e-19 6.130328345842499e-19 6.180652713916439e-19 6.22064304270108e-19 6.250892137551e-19 6.27189667322274e-19 6.28418536800552e-19 6.28819080959052e-19 6.283896976211399e-19 6.270086213626319e-19 6.245092258135919e-19 6.2070726066111e-19 6.153864320595959e-19 6.0829840263078e-19 5.991627914637119e-19 5.87660765408226e-19 5.73441447781476e-19 5.56125122721204e-19 5.35322461305348e-19 5.10663360731454e-19 4.81861031382036e-19 4.48814536129152e-19 4.1168729698946997e-19 3.7007075892132e-19 3.2228103428236796e-19 2.6416688341391998e-19 1.88667513889938e-19 8.492737792675499e-20 -6.2798915346264e-20 -2.7505207146531597e-19 -5.7794676847628395e-19 -1.0063832199975898e-18 -1.61815033504098e-18 -2.52926012149776e-18 ] } }