{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.835539 0.5 0.258124 ] [ 0.164461 0.5 0.741876 ] [ 0.335539 0 0.258124 ] [ 0.664461 0 0.741876 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.155327 0 0.713789 ] [ 0.844673 0 0.286211 ] [ 0.075895 0.22907 0.232639 ] [ 0.924105 0.22907 0.767361 ] [ 0.924105 0.77093 0.767361 ] [ 0.075895 0.77093 0.232639 ] [ 0.655327 0.5 0.713789 ] [ 0.344673 0.5 0.286211 ] [ 0.575895 0.72907 0.232639 ] [ 0.424105 0.72907 0.767361 ] [ 0.424105 0.27093 0.767361 ] [ 0.575895 0.27093 0.232639 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cr" "Cr" "Cr" "Cr" "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" 13.0276806906 "source-unit" "angstrom" } "b" { "source-value" 7.3798820072 "source-unit" "angstrom" } "c" { "source-value" 6.25662969006 "source-unit" "angstrom" } "beta" { "source-value" 92.004523223 "source-unit" "degree" } }