{ "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" [ 5.98134 5.580568 5.332186 5.151723 5.009901 4.893055 4.793693 4.707255 4.630765 4.562166 4.499982 4.443115 4.390727 4.342163 4.296903 4.254526 4.214686 4.177098 4.141519 4.107746 4.075604 4.044944 4.015634 3.98756 3.968448 3.948334 3.927106 3.904634 3.880763 3.855306 3.82804 3.798685 3.766896 3.732231 3.69412 3.651799 3.604222 3.549896 3.486585 3.410714 3.316038 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.98134e-10 5.580568e-10 5.332186e-10 5.151723e-10 5.009901000000001e-10 4.893055000000001e-10 4.793693000000001e-10 4.707255e-10 4.6307650000000004e-10 4.5621660000000006e-10 4.4999820000000004e-10 4.443115e-10 4.390727e-10 4.3421630000000004e-10 4.2969030000000004e-10 4.254526e-10 4.2146860000000006e-10 4.1770980000000004e-10 4.141519e-10 4.107746e-10 4.0756040000000006e-10 4.044944e-10 4.0156340000000006e-10 3.9875600000000004e-10 3.9684480000000003e-10 3.948334e-10 3.927106e-10 3.904634e-10 3.8807630000000003e-10 3.8553060000000005e-10 3.8280400000000005e-10 3.798685e-10 3.766896e-10 3.7322310000000004e-10 3.69412e-10 3.651799e-10 3.604222e-10 3.549896e-10 3.486585e-10 3.410714e-10 3.316038e-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" [ 0.165367 0.300099 0.425781 0.543004 0.652028 0.753333 0.852231 0.943511 1.02738 1.10442 1.17483 1.23876 1.29641 1.34796 1.39358 1.43347 1.46858 1.49871 1.52375 1.54376 1.55888 1.56943 1.57562 1.57764 1.57666 1.57345 1.56752 1.55825 1.54487 1.52643 1.5017 1.46915 1.42848 1.3762 1.30918 1.22328 1.11527 0.983536 0.834815 0.709596 0.778061 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6494714125183358e-20 4.808116017254592e-20 6.821763637808449e-20 8.699883138008833e-20 1.0446640177069825e-19 1.2069725202771265e-19 1.3654245837210047e-19 1.5116712656676289e-19 1.646044216677504e-19 1.769475903543936e-19 1.8822851594144643e-19 1.9847123107822083e-19 2.077077792971328e-19 2.1596699977735682e-19 2.232761295214464e-19 2.2966721206181763e-19 2.3529245417744643e-19 2.401198123359168e-19 2.4413166259440003e-19 2.473376180126208e-19 2.4976010906327043e-19 2.5145040539821445e-19 2.5244215272648962e-19 2.527657924038912e-19 2.526087790950528e-19 2.5209448039977603e-19 2.511443896636416e-19 2.4965917193616e-19 2.475154596175296e-19 2.445610459287744e-19 2.40598863145536e-19 2.35383778244832e-19 2.288677259280384e-19 2.2049154655449604e-19 2.0975375884189443e-19 1.959910616692224e-19 1.7868595198796161e-19 1.5757983849151489e-19 1.337521075693152e-19 1.1368981214131968e-19 1.2465911437562689e-19 ] } }