{ "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 0.952597 0.675346 ] [ 0.75 0.047403 0.324654 ] [ 0.25 0.452597 0.824654 ] [ 0.75 0.547403 0.175346 ] [ 0.25 0.667771 0.445953 ] [ 0.75 0.332229 0.554047 ] [ 0.25 0.167771 0.054047 ] [ 0.75 0.832229 0.945953 ] [ 0.75 0.981257 0.1053 ] [ 0.25 0.018743 0.8947 ] [ 0.75 0.481257 0.3947 ] [ 0.25 0.518743 0.6053 ] [ 0.75 0.835893 0.510294 ] [ 0.25 0.164107 0.489706 ] [ 0.75 0.335893 0.989706 ] [ 0.25 0.664107 0.010294 ] [ 0.75 0.710152 0.787906 ] [ 0.25 0.289848 0.212094 ] [ 0.75 0.210152 0.712094 ] [ 0.25 0.789848 0.287906 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Cd" "Cd" "Cd" "Cd" "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" 4.49742107 "source-unit" "angstrom" } "b" { "source-value" 10.39580718 "source-unit" "angstrom" } "c" { "source-value" 16.63770365 "source-unit" "angstrom" } }