{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.416094 0.283822 ] [ 0 0.658387 0.018267 ] [ 0.5 0.583906 0.716178 ] [ 0.5 0.841613 0.518267 ] [ 0 0.083906 0.783822 ] [ 0.5 0.158387 0.481733 ] [ 0 0.916094 0.216178 ] [ 0 0.341613 0.981733 ] [ 0.5 0.536885 0.899758 ] [ 0.5 0.717556 0.266612 ] [ 0 0.963115 0.399758 ] [ 0 0.782444 0.766612 ] [ 0 0.10235 0.081038 ] [ 0 0.327584 0.398716 ] [ 0 0.672416 0.601284 ] [ 0.5 0.172416 0.898716 ] [ 0.5 0.60235 0.418962 ] [ 0.5 0.39765 0.581038 ] [ 0 0.217556 0.233388 ] [ 0 0.036885 0.600242 ] [ 0.5 0.282444 0.733388 ] [ 0.5 0.463115 0.100242 ] [ 0.5 0.827584 0.101284 ] [ 0 0.89765 0.918962 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.53591128 "source-unit" "angstrom" } "b" { "source-value" 8.57492118 "source-unit" "angstrom" } "c" { "source-value" 15.35702132 "source-unit" "angstrom" } }