{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.956037 0.5 0.652815 ] [ 0.228967 0.5 0.242581 ] [ 0.004395 0 0.003003 ] [ 0.18408 0 0.894733 ] [ 0.456037 0 0.652815 ] [ 0.728967 0 0.242581 ] [ 0.504395 0.5 0.003003 ] [ 0.68408 0.5 0.894733 ] [ 0.04503 0.5 0.216954 ] [ 0.640552 0 0.680815 ] [ 0.433145 0.5 0.43609 ] [ 0.250597 0 0.462481 ] [ 0.866741 0.5 0.833295 ] [ 0.824363 0 0.064567 ] [ 0.54503 0 0.216954 ] [ 0.140552 0.5 0.680815 ] [ 0.933145 0 0.43609 ] [ 0.750597 0.5 0.462481 ] [ 0.366741 0 0.833295 ] [ 0.324363 0.5 0.064567 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "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" 15.27637094 "source-unit" "angstrom" } "b" { "source-value" 3.91849836 "source-unit" "angstrom" } "c" { "source-value" 10.17197082 "source-unit" "angstrom" } "beta" { "source-value" 117.18861222 "source-unit" "degree" } }