{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.164003 0.010971 ] [ 0.25 0.404931 0.333587 ] [ 0.25 0.835997 0.510971 ] [ 0.25 0.595069 0.833587 ] [ 0.75 0.404931 0.166413 ] [ 0.75 0.164003 0.489029 ] [ 0.75 0.595069 0.666413 ] [ 0.75 0.835997 0.989029 ] [ 0 0.927906 0.25 ] [ 0 0.072094 0.75 ] [ 0.25 0.66712 0.101498 ] [ 0.25 0.33288 0.601498 ] [ 0.5 0.927906 0.25 ] [ 0.5 0.072094 0.75 ] [ 0.75 0.66712 0.398502 ] [ 0.75 0.33288 0.898502 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.763577 "source-unit" "angstrom" } "b" { "source-value" 5.988924 "source-unit" "angstrom" } "c" { "source-value" 11.828543 "source-unit" "angstrom" } }