{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.699839 0.782858 0.749932 ] [ 0.300161 0.217142 0.250068 ] [ 0.656734 0.448365 0.863969 ] [ 0.343266 0.551635 0.136031 ] [ 0.981158 0.733938 0.867566 ] [ 0.018842 0.266062 0.132434 ] [ 0.425672 0.822388 0.631701 ] [ 0.574328 0.177612 0.368299 ] [ 0.757702 0.122831 0.636128 ] [ 0.242298 0.877169 0.363872 ] [ 0.360245 0.060439 0.865841 ] [ 0.639755 0.939561 0.134159 ] [ 0.032757 0.519787 0.634813 ] [ 0.967243 0.480213 0.365187 ] ] } "species" { "source-value" [ "Ag" "Ag" "Pd" "Pd" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.11588536162 "source-unit" "angstrom" } "b" { "source-value" 5.15578239639 "source-unit" "angstrom" } "c" { "source-value" 10.2378389275 "source-unit" "angstrom" } "alpha" { "source-value" 76.8306458187 "source-unit" "degree" } "beta" { "source-value" 77.2534221344 "source-unit" "degree" } "gamma" { "source-value" 60.9798804221 "source-unit" "degree" } }