{ "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" [ [ 0.690994 0.25 0.882032 ] [ 0.309006 0.75 0.117968 ] [ 0.884582 0.75 0.669726 ] [ 0.115418 0.25 0.330274 ] [ 0.90381 0.75 0.108253 ] [ 0.09619 0.25 0.891747 ] [ 0.890245 0.75 0.879881 ] [ 0.109755 0.25 0.120119 ] [ 0.868282 0.75 0.381869 ] [ 0.131718 0.25 0.618131 ] [ 0.634711 0.25 0.624045 ] [ 0.365289 0.75 0.375955 ] [ 0.394959 0.75 0.866775 ] [ 0.605041 0.25 0.133225 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Ru" "Ru" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.43825636888 "source-unit" "angstrom" } "b" { "source-value" 4.34669968 "source-unit" "angstrom" } "c" { "source-value" 12.6979881975 "source-unit" "angstrom" } "beta" { "source-value" 93.105753006 "source-unit" "degree" } }