{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.058992 0.25 0.370784 ] [ 0.941008 0.75 0.629216 ] [ 0.417046 0.114393 0.874116 ] [ 0.582954 0.614393 0.125884 ] [ 0.582954 0.885607 0.125884 ] [ 0.417046 0.385607 0.874116 ] [ 0.560151 0.25 0.104701 ] [ 0.439849 0.75 0.895299 ] [ 0.547978 0.25 0.660566 ] [ 0.452022 0.75 0.339434 ] [ 0.132626 0.25 0.869815 ] [ 0.867374 0.75 0.130185 ] [ 0.279442 0.998197 0.105745 ] [ 0.720558 0.498197 0.894255 ] [ 0.720558 0.001803 0.894255 ] [ 0.279442 0.501803 0.105745 ] [ 0.260299 0.004706 0.648452 ] [ 0.739701 0.504706 0.351548 ] [ 0.739701 0.995294 0.351548 ] [ 0.260299 0.495294 0.648452 ] ] } "species" { "source-value" [ "Cs" "Cs" "Ti" "Ti" "Ti" "Ti" "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" 6.81124729978 "source-unit" "angstrom" } "b" { "source-value" 11.41582631 "source-unit" "angstrom" } "c" { "source-value" 7.58204545025 "source-unit" "angstrom" } "beta" { "source-value" 94.8346654288 "source-unit" "degree" } }