{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.93448 0.673695 ] [ 0.75 0.06552 0.326305 ] [ 0.25 0.43448 0.826305 ] [ 0.75 0.56552 0.173695 ] [ 0.25 0.664955 0.441937 ] [ 0.75 0.335045 0.558063 ] [ 0.25 0.164955 0.058063 ] [ 0.75 0.835045 0.941937 ] [ 0.75 0.985022 0.1113 ] [ 0.25 0.014978 0.8887 ] [ 0.75 0.485022 0.3887 ] [ 0.25 0.514978 0.6113 ] [ 0.75 0.835185 0.508514 ] [ 0.25 0.164815 0.491486 ] [ 0.75 0.335185 0.991486 ] [ 0.25 0.664815 0.008514 ] [ 0.75 0.706097 0.78833 ] [ 0.25 0.293903 0.21167 ] [ 0.75 0.206097 0.71167 ] [ 0.25 0.793903 0.28833 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Ge" "Ge" "Ge" "Ge" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.45466547 "source-unit" "angstrom" } "b" { "source-value" 10.41024071 "source-unit" "angstrom" } "c" { "source-value" 16.56718102 "source-unit" "angstrom" } }