{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.872747 0.75 0.993987 ] [ 0.372747 0.25 0.506013 ] [ 0.127253 0.25 0.006013 ] [ 0.627253 0.75 0.493987 ] [ 0.378666 0.75 0.990322 ] [ 0.878666 0.25 0.509678 ] [ 0.621334 0.25 0.009678 ] [ 0.121334 0.75 0.490322 ] [ 0.625494 0.472915 0.745603 ] [ 0.125494 0.527085 0.754397 ] [ 0.374506 0.972915 0.254397 ] [ 0.874506 0.027085 0.245603 ] [ 0.374506 0.527085 0.254397 ] [ 0.874506 0.472915 0.245603 ] [ 0.625494 0.027085 0.745603 ] [ 0.125494 0.972915 0.754397 ] [ 0.845315 0.75 0.784013 ] [ 0.345315 0.25 0.715987 ] [ 0.154685 0.25 0.215987 ] [ 0.654685 0.75 0.284013 ] [ 0.409055 0.75 0.782052 ] [ 0.909055 0.25 0.717948 ] [ 0.590945 0.25 0.217948 ] [ 0.090945 0.75 0.282052 ] [ 0.871614 0.059317 0.911734 ] [ 0.371614 0.940683 0.588266 ] [ 0.128386 0.559317 0.088266 ] [ 0.628386 0.440683 0.411734 ] [ 0.128386 0.940683 0.088266 ] [ 0.628386 0.059317 0.411734 ] [ 0.871614 0.440683 0.911734 ] [ 0.371614 0.559317 0.588266 ] [ 0.377136 0.058614 0.908975 ] [ 0.877136 0.941386 0.591025 ] [ 0.622864 0.558614 0.091025 ] [ 0.122864 0.441386 0.408975 ] [ 0.622864 0.941386 0.091025 ] [ 0.122864 0.058614 0.408975 ] [ 0.377136 0.441386 0.908975 ] [ 0.877136 0.558614 0.591025 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "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" 6.99753132 "source-unit" "angstrom" } "b" { "source-value" 7.6518887 "source-unit" "angstrom" } "c" { "source-value" 12.4057579 "source-unit" "angstrom" } }