{ "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" [ [ 0.001629 0.724039 0.215325 ] [ 0.998371 0.275961 0.784675 ] [ 0.442939 0.196856 0.045023 ] [ 0.557061 0.803144 0.954977 ] [ 0.44939 0.695162 0.510251 ] [ 0.55061 0.304838 0.489749 ] [ 0.126318 0.668749 0.880239 ] [ 0.873682 0.331251 0.119761 ] [ 0.881108 0.848962 0.577745 ] [ 0.118892 0.151038 0.422255 ] ] } "species" { "source-value" [ "Mn" "Mn" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.10977071002 "source-unit" "angstrom" } "b" { "source-value" 5.8358734654 "source-unit" "angstrom" } "c" { "source-value" 5.86552259324 "source-unit" "angstrom" } "alpha" { "source-value" 110.810076955 "source-unit" "degree" } "beta" { "source-value" 115.788453171 "source-unit" "degree" } "gamma" { "source-value" 86.2458071186 "source-unit" "degree" } }