{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.07729 5.67009 5.417723 5.234366 5.090269 4.971549 4.870593 4.782769 4.705052 4.635353 4.572171 4.514392 4.461163 4.411821 4.365835 4.322778 4.2823 4.244108 4.207958 4.173644 4.140986 4.109834 4.080054 4.05153 4.022694 3.992977 3.962326 3.930679 3.89797 3.864123 3.829059 3.792685 3.7549 3.71559 3.674627 3.631866 3.587141 3.540264 3.491016 3.439146 3.384358 3.326304 3.26457 3.198658 3.12796 3.051728 2.969019 2.878632 2.778993 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.07729e-10 5.67009e-10 5.417723e-10 5.234366e-10 5.090269e-10 4.971549000000001e-10 4.870593000000001e-10 4.782769000000001e-10 4.705052000000001e-10 4.6353530000000004e-10 4.572171e-10 4.514392e-10 4.461163e-10 4.411821e-10 4.365835e-10 4.3227779999999995e-10 4.2823000000000003e-10 4.244108e-10 4.207958e-10 4.1736440000000005e-10 4.140986e-10 4.1098340000000006e-10 4.080054e-10 4.0515299999999997e-10 4.0226940000000006e-10 3.9929770000000005e-10 3.9623260000000004e-10 3.930679e-10 3.89797e-10 3.864123e-10 3.829059e-10 3.792685e-10 3.7549e-10 3.7155900000000005e-10 3.674627e-10 3.631866e-10 3.587141e-10 3.540264e-10 3.491016e-10 3.439146e-10 3.3843580000000003e-10 3.326304e-10 3.26457e-10 3.198658e-10 3.12796e-10 3.0517280000000006e-10 2.969019e-10 2.878632e-10 2.778993e-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" [ 1.30519 1.65093 1.94575 2.16811 2.34036 2.48255 2.60378 2.709 2.80217 2.88669 2.96333 3.03078 3.08875 3.13865 3.18209 3.22013 3.25332 3.28197 3.30622 3.32618 3.34186 3.35314 3.35993 3.36218 3.35974 3.35194 3.33817 3.31799 3.29098 3.25639 3.21281 3.15786 3.08806 2.99879 2.8843 2.73912 2.5612 2.35494 2.12626 1.86474 1.52987 1.05976 0.386322 -0.585066 -2.05638 -4.32028 -7.92854 -15.3982 -31.6247 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.09114492093046e-19 2.64508147036962e-19 3.1174351856055e-19 3.47369518194174e-19 3.7496701071482396e-19 3.9774836027366994e-19 4.1717154760765195e-19 4.340296501506e-19 4.489571298495779e-19 4.62498726760146e-19 4.747778084831219e-19 4.85584489879452e-19 4.9487230782675e-19 5.0286716923041e-19 5.09827024528506e-19 5.15921704444242e-19 5.212393286924879e-19 5.258295647488979e-19 5.29714843086348e-19 5.329127876478119e-19 5.35425000609924e-19 5.372322558530759e-19 5.383201337875619e-19 5.386806235302119e-19 5.38289692431516e-19 5.370399946569959e-19 5.34833797431978e-19 5.316006049845659e-19 5.272731258961319e-19 5.21731196919126e-19 5.14748911148154e-19 5.05944950544324e-19 4.94761757639004e-19 4.80459126827286e-19 4.6211580654462e-19 4.38855406172208e-19 4.1034947950007995e-19 3.77302984247196e-19 3.4066440898088396e-19 2.98764285648516e-19 2.45112196705758e-19 1.6979227096478399e-19 6.189560816001479e-20 -9.373790745478439e-20 -3.2946839866249197e-19 -6.92185166833752e-19 -1.270292152973436e-18 -2.4670636245658796e-18 -5.06683553972598e-18 ] } }