{ "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" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" ] } "a" { "source-value" [ 13.4092 12.510731 11.953895 11.549325 11.231381 10.969432 10.746676 10.552897 10.381417 10.227629 10.088222 9.960735 9.843288 9.734415 9.63295 9.537947 9.448633 9.364364 9.284602 9.208888 9.136832 9.068095 9.002387 8.93945 8.896604 8.851511 8.803922 8.753543 8.700027 8.642958 8.581831 8.516022 8.444756 8.367044 8.281604 8.186728 8.080068 7.958278 7.816344 7.646254 7.434006 7.15156 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.3409200000000002e-09 1.2510731e-09 1.1953895e-09 1.1549325e-09 1.1231381000000001e-09 1.0969432e-09 1.0746676e-09 1.0552897e-09 1.0381417e-09 1.0227629e-09 1.0088222000000001e-09 9.960735e-10 9.843287999999999e-10 9.734415e-10 9.63295e-10 9.537947000000001e-10 9.448633e-10 9.364364e-10 9.284602e-10 9.208888e-10 9.136832000000001e-10 9.068095e-10 9.002387000000001e-10 8.939450000000001e-10 8.896604e-10 8.851511e-10 8.803922000000001e-10 8.753543000000001e-10 8.700027e-10 8.642958e-10 8.581831e-10 8.516022e-10 8.444756e-10 8.367044000000001e-10 8.281604e-10 8.186728000000001e-10 8.080068000000001e-10 7.958278000000001e-10 7.816344e-10 7.646254000000001e-10 7.434006e-10 7.15156e-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" [ 0.410064 0.614662 0.79448 0.959288 1.11334 1.25764 1.39378 1.52174 1.64195 1.75463 1.86003 1.95837 2.04938 2.13302 2.20953 2.2788 2.34042 2.39427 2.44022 2.47811 2.50777 2.52906 2.54217 2.5466 2.54437 2.53687 2.52259 2.49955 2.4652 2.41586 2.34644 2.24986 2.11584 1.92914 1.66636 1.29035 0.738483 -0.0998554 -1.43788 -3.73076 -8.10067 -18.0525 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.569949538317312e-20 9.847970860941697e-20 1.272897281693184e-19 1.5369488062139905e-19 1.783767319001472e-19 2.0149614053829122e-19 2.233081730538624e-19 2.4380962509361924e-19 2.63069390252256e-19 2.811227164154304e-19 2.980096579986624e-19 3.1376546288760962e-19 3.2834687231351045e-19 3.4174747756988166e-19 3.540057308956224e-19 3.65104008347904e-19 3.749766206852736e-19 3.8360434178828163e-19 3.909663433608576e-19 3.9703699057706884e-19 4.017890464343616e-19 4.052000804600448e-19 4.0730053400991363e-19 4.0801029825292807e-19 4.076530128664896e-19 4.064513804008896e-19 4.0416347218638726e-19 4.0047205725206404e-19 3.94968580559616e-19 3.870634411125888e-19 3.759411310109952e-19 3.6046730920730883e-19 3.389949381353472e-19 3.0908230062501123e-19 2.6698030338362884e-19 2.0673686026492804e-19 1.1831801974582464e-19 -1.5998598734063233e-20 -2.3037377195159043e-19 -5.977336449815808e-19 -1.2978704086815935e-18 -2.8923293446992e-18 ] } }