{ "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" [ [ 0.762062 0.75 0.940261 ] [ 0.786275 0.75 0.448849 ] [ 0.213725 0.25 0.551151 ] [ 0.237938 0.25 0.059739 ] [ 0.211338 0.75 0.297016 ] [ 0.788662 0.25 0.702984 ] [ 0.401723 0.75 0.111343 ] [ 0.379104 0.75 0.58226 ] [ 0.620896 0.25 0.41774 ] [ 0.598277 0.25 0.888657 ] [ 0.002499 0.495197 0.24015 ] [ 0.997501 0.995197 0.75985 ] [ 0.997501 0.504803 0.75985 ] [ 0.002499 0.004803 0.24015 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ge" "Ge" "Te" "Te" "Te" "Te" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.56382472969 "source-unit" "angstrom" } "b" { "source-value" 7.28759733 "source-unit" "angstrom" } "c" { "source-value" 9.49392997187 "source-unit" "angstrom" } "beta" { "source-value" 108.455430842 "source-unit" "degree" } }