{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.40028 0.621878 ] [ 0.75 0.59972 0.378122 ] [ 0.75 0.90028 0.878122 ] [ 0.25 0.09972 0.121878 ] [ 0.25 0.014384 0.355145 ] [ 0.75 0.985616 0.644855 ] [ 0.75 0.514384 0.144855 ] [ 0.25 0.485616 0.855145 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.2194032 "source-unit" "angstrom" } "b" { "source-value" 4.52401876 "source-unit" "angstrom" } "c" { "source-value" 11.7898005 "source-unit" "angstrom" } }