{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.01847 8.414199 8.039695 7.767599 7.553764 7.377588 7.227772 7.097445 6.982115 6.878684 6.784924 6.699182 6.620192 6.546969 6.478728 6.414833 6.354764 6.298089 6.244444 6.193523 6.14506 6.098831 6.054638 6.01231 5.983494 5.953166 5.921159 5.887277 5.851284 5.812902 5.77179 5.72753 5.679599 5.627334 5.569871 5.506061 5.434326 5.352415 5.256956 5.142561 4.999811 4.80985 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.018470000000001e-10 8.414199e-10 8.039695e-10 7.767599e-10 7.553764e-10 7.377588000000001e-10 7.227772e-10 7.097445e-10 6.982115000000001e-10 6.878684e-10 6.784924e-10 6.699182e-10 6.620192e-10 6.546969e-10 6.478728e-10 6.414833e-10 6.354764000000001e-10 6.298089e-10 6.244444e-10 6.193523e-10 6.14506e-10 6.098831e-10 6.054638e-10 6.01231e-10 5.983494e-10 5.953166e-10 5.921159000000001e-10 5.887277e-10 5.851284e-10 5.812902e-10 5.771790000000001e-10 5.72753e-10 5.679598999999999e-10 5.627334e-10 5.569871000000001e-10 5.506061e-10 5.434326000000001e-10 5.352415e-10 5.256956e-10 5.142561e-10 4.999811e-10 4.80985e-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" [ 0.0730921 0.500459 1.28605 2.07944 2.71091 3.18849 3.55398 3.84151 4.07454 4.26853 4.43343 4.5756 4.69913 4.8067 4.90017 4.98086 5.04977 5.1077 5.15533 5.19323 5.22194 5.24192 5.25361 5.25742 5.25558 5.24952 5.23831 5.22075 5.19533 5.16013 5.11265 5.04958 4.96655 4.85762 4.71466 4.5263 4.27652 3.94269 3.49405 2.88147 1.98309 0.383677 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1710645378517568e-20 8.018237094689472e-20 2.06047924317984e-19 3.3316301523563524e-19 4.3433566230929285e-19 5.108524133654592e-19 5.694103666790785e-19 6.154777510569408e-19 6.528132728514432e-19 6.838938971183424e-19 7.103137895953345e-19 7.33091934613248e-19 7.528836224099905e-19 7.701182363199361e-19 7.850937811945537e-19 7.980217443477888e-19 8.090623434417216e-19 8.183437526060161e-19 8.259749198508865e-19 8.320471692437184e-19 8.3664701832203525e-19 8.398481672103937e-19 8.417211116801089e-19 8.423315409726336e-19 8.420367404744064e-19 8.410658214422017e-19 8.392697814502849e-19 8.3645635930416e-19 8.323836263340865e-19 8.267439646288704e-19 8.191368300333121e-19 8.090319020859264e-19 7.95729029603424e-19 7.782765196730496e-19 7.553718027020929e-19 7.25193203872704e-19 6.851740362383616e-19 6.316885741061952e-19 5.59808522190624e-19 4.616623867536577e-19 3.177260434942272e-19 6.147183193386816e-20 ] } }