{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.942095 0.516182 0.75 ] [ 0.20892 0.208927 0.970669 ] [ 0.557905 0.016182 0.75 ] [ 0.70892 0.291073 0.029331 ] [ 0.29108 0.708927 0.529331 ] [ 0.29108 0.708927 0.970669 ] [ 0.79108 0.791073 0.029331 ] [ 0.057905 0.483818 0.25 ] [ 0.79108 0.791073 0.470669 ] [ 0.442095 0.983818 0.25 ] [ 0.70892 0.291073 0.470669 ] [ 0.20892 0.208927 0.529331 ] [ 0.500803 0.525164 0.25 ] [ 0.999197 0.025164 0.25 ] [ 0.499197 0.474836 0.75 ] [ 0.000803 0.974836 0.75 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Cl" "Cl" "Cl" "Cl" "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" 7.33791475 "source-unit" "angstrom" } "b" { "source-value" 7.3530107 "source-unit" "angstrom" } "c" { "source-value" 10.42158948 "source-unit" "angstrom" } }