{ "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 0.750717 0.25 ] [ 0.5 0.249283 0.75 ] [ 0 0.250717 0.25 ] [ 0 0.749283 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0.032101 0.75 ] [ 0 0.967899 0.25 ] [ 0.5 0.532101 0.75 ] [ 0.5 0.467899 0.25 ] [ 0 0.863948 0.438848 ] [ 0 0.136052 0.561152 ] [ 0 0.136052 0.938848 ] [ 0 0.863948 0.061152 ] [ 0.5 0.929566 0.75 ] [ 0.5 0.070434 0.25 ] [ 0.5 0.363948 0.438848 ] [ 0.5 0.636052 0.561152 ] [ 0.5 0.636052 0.938848 ] [ 0.5 0.363948 0.061152 ] [ 0 0.429566 0.75 ] [ 0 0.570434 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Dy" "Dy" "Dy" "Dy" "Cu" "Cu" "Cu" "Cu" "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" 4.43938467 "source-unit" "angstrom" } "b" { "source-value" 14.9978077 "source-unit" "angstrom" } "c" { "source-value" 11.4350579 "source-unit" "angstrom" } }