{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.2061 0 0.675952 ] [ 0.25 0.75 0 ] [ 0 0.658018 0.5 ] [ 0 0.341982 0.5 ] [ 0.25 0.25 0 ] [ 0.7939 0 0.324048 ] [ 0.7061 0.5 0.675952 ] [ 0.75 0.25 0 ] [ 0.5 0.158018 0.5 ] [ 0.5 0.841982 0.5 ] [ 0.75 0.75 0 ] [ 0.2939 0.5 0.324048 ] [ 0.107229 0 0.138757 ] [ 0.892771 0 0.861243 ] [ 0.607229 0.5 0.138757 ] [ 0.392771 0.5 0.861243 ] [ 0.63986 0 0.8789 ] [ 0.36014 0 0.1211 ] [ 0.901482 0.85096 0.702314 ] [ 0.098518 0.85096 0.297686 ] [ 0.098518 0.14904 0.297686 ] [ 0.901482 0.14904 0.702314 ] [ 0.13986 0.5 0.8789 ] [ 0.86014 0.5 0.1211 ] [ 0.401482 0.35096 0.702314 ] [ 0.598518 0.35096 0.297686 ] [ 0.598518 0.64904 0.297686 ] [ 0.401482 0.64904 0.702314 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Si" "Si" "Si" "Si" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.79072077 "source-unit" "angstrom" } "b" { "source-value" 13.91127349 "source-unit" "angstrom" } "c" { "source-value" 8.98214699 "source-unit" "angstrom" } "beta" { "source-value" 117.3420961 "source-unit" "degree" } }