{ "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 0.249379 0.25 ] [ 0 0.750621 0.75 ] [ 0.5 0.749379 0.25 ] [ 0.5 0.250621 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.967534 0.75 ] [ 0.5 0.032466 0.25 ] [ 0 0.467534 0.75 ] [ 0 0.532466 0.25 ] [ 0.5 0.863623 0.938776 ] [ 0 0.929696 0.25 ] [ 0.5 0.136377 0.438776 ] [ 0.5 0.136377 0.061224 ] [ 0.5 0.863623 0.561224 ] [ 0 0.070304 0.75 ] [ 0 0.363623 0.938776 ] [ 0.5 0.429696 0.25 ] [ 0 0.636377 0.438776 ] [ 0 0.636377 0.061224 ] [ 0 0.363623 0.561224 ] [ 0.5 0.570304 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Y" "Y" "Y" "Y" "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" 4.44262708 "source-unit" "angstrom" } "b" { "source-value" 14.98953692 "source-unit" "angstrom" } "c" { "source-value" 11.44982601 "source-unit" "angstrom" } }