{ "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 0.755587 0.25 ] [ 0 0.244413 0.75 ] [ 0.5 0.255587 0.25 ] [ 0.5 0.744413 0.75 ] [ 0 0.752172 0.75 ] [ 0.5 0.747828 0.25 ] [ 0.5 0.252172 0.75 ] [ 0 0.247828 0.25 ] [ 0.872773 0.626439 0.619391 ] [ 0.125311 0.878863 0.622002 ] [ 0.874689 0.878863 0.877998 ] [ 0.127227 0.626439 0.880609 ] [ 0.872773 0.373561 0.119391 ] [ 0.374689 0.621137 0.377998 ] [ 0.127227 0.373561 0.380609 ] [ 0.625311 0.621137 0.122002 ] [ 0.372773 0.126439 0.619391 ] [ 0.625311 0.378863 0.622002 ] [ 0.374689 0.378863 0.877998 ] [ 0.627227 0.126439 0.880609 ] [ 0.372773 0.873561 0.119391 ] [ 0.874689 0.121137 0.377998 ] [ 0.627227 0.873561 0.380609 ] [ 0.125311 0.121137 0.122002 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.11137058 "source-unit" "angstrom" } "b" { "source-value" 7.11511769 "source-unit" "angstrom" } "c" { "source-value" 5.56036755 "source-unit" "angstrom" } "beta" { "source-value" 90.10386555 "source-unit" "degree" } }