{ "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 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.75043 0.25 ] [ 0.5 0.24957 0.75 ] [ 0 0.25043 0.25 ] [ 0 0.74957 0.75 ] [ 0 0.8905 0.25 ] [ 0.5 0.860219 0.919773 ] [ 0.5 0.139781 0.080227 ] [ 0.5 0.860219 0.580227 ] [ 0 0.1095 0.75 ] [ 0.5 0.139781 0.419773 ] [ 0.5 0.3905 0.25 ] [ 0 0.360219 0.919773 ] [ 0 0.639781 0.080227 ] [ 0 0.360219 0.580227 ] [ 0.5 0.6095 0.75 ] [ 0 0.639781 0.419773 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Nd" "Nd" "Nd" "Nd" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.97126604 "source-unit" "angstrom" } "b" { "source-value" 13.8651158 "source-unit" "angstrom" } "c" { "source-value" 8.86575858 "source-unit" "angstrom" } }