{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.033997 0.027495 0.176069 ] [ 0.449358 0.363133 0.374986 ] [ 0.550642 0.863133 0.625014 ] [ 0.966003 0.527495 0.823931 ] [ 0.98613 0.62106 0.387318 ] [ 0.525113 0.213706 0.894198 ] [ 0.474887 0.713706 0.105802 ] [ 0.01387 0.12106 0.612682 ] [ 0.955038 0.770619 0.588876 ] [ 0.188902 0.528805 0.171675 ] [ 0.147783 0.289643 0.785297 ] [ 0.23013 0.514628 0.569239 ] [ 0.310804 0.2218 0.122022 ] [ 0.268145 0.019826 0.447733 ] [ 0.202733 0.724297 0.905141 ] [ 0.351818 0.73856 0.374549 ] [ 0.315029 0.032025 0.786276 ] [ 0.428822 0.932902 0.111854 ] [ 0.571178 0.432902 0.888146 ] [ 0.684971 0.532025 0.213724 ] [ 0.648182 0.23856 0.625451 ] [ 0.797267 0.224297 0.094859 ] [ 0.731855 0.519826 0.552267 ] [ 0.689196 0.7218 0.877978 ] [ 0.76987 0.014628 0.430761 ] [ 0.852217 0.789643 0.214703 ] [ 0.811098 0.028805 0.828325 ] [ 0.044962 0.270619 0.411124 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "La" "La" "La" "La" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 7.1333465 "source-unit" "angstrom" } "b" { "source-value" 12.46689363 "source-unit" "angstrom" } "c" { "source-value" 9.97785972 "source-unit" "angstrom" } "beta" { "source-value" 92.87807616 "source-unit" "degree" } }