{ "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" [ [ 0.166101 0.5 0.244891 ] [ 0.833899 0.5 0.755109 ] [ 0.666101 0 0.244891 ] [ 0.333899 0 0.755109 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.078732 0.764446 0.780819 ] [ 0.078732 0.235554 0.780819 ] [ 0.837411 0 0.686043 ] [ 0.921268 0.235554 0.219181 ] [ 0.921268 0.764446 0.219181 ] [ 0.162589 0 0.313957 ] [ 0.578732 0.264446 0.780819 ] [ 0.578732 0.735554 0.780819 ] [ 0.337411 0.5 0.686043 ] [ 0.421268 0.735554 0.219181 ] [ 0.421268 0.264446 0.219181 ] [ 0.662589 0.5 0.313957 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "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" 12.420550477 "source-unit" "angstrom" } "b" { "source-value" 7.12526348386 "source-unit" "angstrom" } "c" { "source-value" 6.32585148554 "source-unit" "angstrom" } "beta" { "source-value" 92.3707781987 "source-unit" "degree" } }