{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.813575 0.112666 0.350871 ] [ 0.186425 0.612666 0.149129 ] [ 0.186425 0.887334 0.649129 ] [ 0.813575 0.387334 0.850871 ] [ 0.320425 0.191637 0.052545 ] [ 0.320425 0.308363 0.552545 ] [ 0.679575 0.691637 0.447455 ] [ 0.679575 0.808363 0.947455 ] [ 0.530218 0.818984 0.316405 ] [ 0.126101 0.107089 0.915088 ] [ 0.686777 0.883544 0.561999 ] [ 0.873899 0.892911 0.084912 ] [ 0.469782 0.318984 0.183595 ] [ 0.009454 0.214455 0.617561 ] [ 0.686777 0.616456 0.061999 ] [ 0.313223 0.383544 0.938001 ] [ 0.873899 0.607089 0.584912 ] [ 0.530218 0.681016 0.816405 ] [ 0.313223 0.116456 0.438001 ] [ 0.126101 0.392911 0.415088 ] [ 0.009454 0.285545 0.117561 ] [ 0.990546 0.785545 0.382439 ] [ 0.469782 0.181016 0.683595 ] [ 0.990546 0.714455 0.882439 ] [ 0.538174 0.344735 0.491848 ] [ 0.461826 0.844735 0.008152 ] [ 0.538174 0.155265 0.991848 ] [ 0.284801 0.427756 0.642982 ] [ 0.284801 0.072244 0.142982 ] [ 0.715199 0.572244 0.357018 ] [ 0.461826 0.655265 0.508152 ] [ 0.715199 0.927756 0.857018 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Re" "Re" "Re" "Re" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.86098371443 "source-unit" "angstrom" } "b" { "source-value" 10.82445176 "source-unit" "angstrom" } "c" { "source-value" 12.2778700985 "source-unit" "angstrom" } "beta" { "source-value" 90.8906770567 "source-unit" "degree" } }