{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.104556 0.25 ] [ 0.5 0.895444 0.75 ] [ 0 0.604556 0.25 ] [ 0 0.395444 0.75 ] [ 0 0.961082 0.25 ] [ 0 0.038918 0.75 ] [ 0.5 0.249707 0.75 ] [ 0.5 0.750293 0.25 ] [ 0.5 0.461082 0.25 ] [ 0.5 0.538918 0.75 ] [ 0 0.749707 0.75 ] [ 0 0.250293 0.25 ] [ 0 0.187385 0.75 ] [ 0 0.812615 0.25 ] [ 0.5 0.687385 0.75 ] [ 0.5 0.312615 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "As" "As" "As" "As" "As" "As" "As" "As" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.745232 "source-unit" "angstrom" } "b" { "source-value" 17.41007683 "source-unit" "angstrom" } "c" { "source-value" 4.66397727 "source-unit" "angstrom" } }