{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.232017 0.132614 ] [ 0 0.767983 0.867386 ] [ 0.5 0.232017 0.867386 ] [ 0.5 0.767983 0.132614 ] [ 0.5 0.732017 0.632614 ] [ 0.5 0.267983 0.367386 ] [ 0 0.732017 0.367386 ] [ 0 0.267983 0.632614 ] [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0.75 0 0.724911 ] [ 0.75 0 0.275089 ] [ 0.25 0 0.275089 ] [ 0.25 0 0.724911 ] [ 0.5 0.65728 0.8996 ] [ 0 0.34272 0.8996 ] [ 0 0.65728 0.1004 ] [ 0.5 0.34272 0.1004 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0.25 0.5 0.224911 ] [ 0.25 0.5 0.775089 ] [ 0.75 0.5 0.775089 ] [ 0.75 0.5 0.224911 ] [ 0 0.15728 0.3996 ] [ 0.5 0.84272 0.3996 ] [ 0.5 0.15728 0.6004 ] [ 0 0.84272 0.6004 ] [ 0 0.108205 0.860127 ] [ 0.25 0.5 0 ] [ 0.5 0.891795 0.860127 ] [ 0.5 0.108205 0.139873 ] [ 0 0.891795 0.139873 ] [ 0.75 0.5 0 ] [ 0.5 0.608205 0.360127 ] [ 0.75 0 0.5 ] [ 0 0.391795 0.360127 ] [ 0 0.608205 0.639873 ] [ 0.5 0.391795 0.639873 ] [ 0.25 0 0.5 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.11115670267 "source-unit" "angstrom" } "b" { "source-value" 10.2661794501 "source-unit" "angstrom" } "c" { "source-value" 12.2701699395 "source-unit" "angstrom" } }