{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P31c" } "basis-atom-coordinates" { "source-value" [ [ 0.857407 0.825206 0.428008 ] [ 0.174794 0.032201 0.428008 ] [ 0.638377 0.159724 0.663411 ] [ 0.142593 0.967799 0.928008 ] [ 0.967799 0.142593 0.428008 ] [ 0.032201 0.174794 0.928008 ] [ 0.825206 0.857407 0.928008 ] [ 0.521347 0.361623 0.663411 ] [ 0.361623 0.521347 0.163411 ] [ 0.840276 0.478653 0.663411 ] [ 0.478653 0.840276 0.163411 ] [ 0.159724 0.638377 0.163411 ] [ 0.743239 0.058235 0.934293 ] [ 0.071513 0.355718 0.15549 ] [ 0.928487 0.284205 0.65549 ] [ 0.3 0.833331 0.235665 ] [ 0.715795 0.644282 0.65549 ] [ 0.164091 0.201928 0.354324 ] [ 0.666667 0.333333 0.583396 ] [ 0.037837 0.835909 0.354324 ] [ 0.833331 0.3 0.735665 ] [ 0.962163 0.798072 0.854324 ] [ 0.466669 0.166669 0.735665 ] [ 0.314996 0.256761 0.934293 ] [ 0.835909 0.037837 0.854324 ] [ 0 0 0.00596 ] [ 0.333333 0.666667 0.083396 ] [ 0.355718 0.071513 0.65549 ] [ 0.7 0.533331 0.735665 ] [ 0.284205 0.928487 0.15549 ] [ 0.644282 0.715795 0.15549 ] [ 0.685004 0.941765 0.434293 ] [ 0.201928 0.164091 0.854324 ] [ 0.533331 0.7 0.235665 ] [ 0 0 0.50596 ] [ 0.166669 0.466669 0.235665 ] [ 0.798072 0.962163 0.354324 ] [ 0.256761 0.314996 0.434293 ] [ 0.058235 0.743239 0.434293 ] [ 0.941765 0.685004 0.934293 ] [ 0.658882 0.710652 0.009112 ] [ 0.678261 0.59424 0.373609 ] [ 0.382797 0.352737 0.093625 ] [ 0.617203 0.96994 0.593625 ] [ 0.710652 0.658882 0.509112 ] [ 0.59424 0.678261 0.873609 ] [ 0.940394 0.582597 0.231537 ] [ 0.417403 0.357797 0.231537 ] [ 0.03006 0.647263 0.593625 ] [ 0 0 0.265152 ] [ 0.051769 0.341118 0.009112 ] [ 0.357797 0.417403 0.731537 ] [ 0.40576 0.084021 0.373609 ] [ 0.647263 0.03006 0.093625 ] [ 0.289348 0.948231 0.009112 ] [ 0.582597 0.940394 0.731537 ] [ 0.915979 0.321739 0.373609 ] [ 0.666667 0.333333 0.825257 ] [ 0.321739 0.915979 0.873609 ] [ 0 0 0.765152 ] [ 0.948231 0.289348 0.509112 ] [ 0.352737 0.382797 0.593625 ] [ 0.084021 0.40576 0.873609 ] [ 0.341118 0.051769 0.509112 ] [ 0.059606 0.642203 0.731537 ] [ 0.96994 0.617203 0.093625 ] [ 0.642203 0.059606 0.231537 ] [ 0.333333 0.666667 0.325257 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 9.78600802 "source-unit" "angstrom" } "c" { "source-value" 22.54434274 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.140941815294118 "source-unit" "eV" } }