{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.378525 0.75 ] [ 0 0.621475 0.25 ] [ 0.5 0.878525 0.75 ] [ 0.5 0.121475 0.25 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0.5 ] [ 0.58353 0.371579 0.8942 ] [ 0.58353 0.628421 0.3942 ] [ 0.716415 0.587166 0.654455 ] [ 0.91647 0.128421 0.1058 ] [ 0.716415 0.412834 0.154455 ] [ 0.783585 0.912834 0.345545 ] [ 0.658533 0.04047 0.541109 ] [ 0.658533 0.95953 0.041109 ] [ 0.841467 0.45953 0.458891 ] [ 0.783585 0.087166 0.845545 ] [ 0.841467 0.54047 0.958891 ] [ 0.91647 0.871579 0.6058 ] [ 0.08353 0.871579 0.8942 ] [ 0.08353 0.128421 0.3942 ] [ 0.216415 0.087166 0.654455 ] [ 0.41647 0.628421 0.1058 ] [ 0.216415 0.912834 0.154455 ] [ 0.283585 0.412834 0.345545 ] [ 0.158533 0.54047 0.541109 ] [ 0.158533 0.45953 0.041109 ] [ 0.341467 0.95953 0.458891 ] [ 0.283585 0.587166 0.845545 ] [ 0.341467 0.04047 0.958891 ] [ 0.41647 0.371579 0.6058 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Sb" "Sb" "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.7902327537 "source-unit" "angstrom" } "b" { "source-value" 6.77533463 "source-unit" "angstrom" } "c" { "source-value" 12.9337835144 "source-unit" "angstrom" } "beta" { "source-value" 102.602033878 "source-unit" "degree" } }