{ "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" [ [ 0.75 0.79244 0.766228 ] [ 0.75 0.70756 0.266228 ] [ 0.25 0.29244 0.733772 ] [ 0.25 0.20756 0.233772 ] [ 0.75 0.317399 0.982965 ] [ 0.25 0.817399 0.517035 ] [ 0.25 0.682601 0.017035 ] [ 0.75 0.182601 0.482965 ] [ 0.25 0.010631 0.832509 ] [ 0.75 0.510631 0.667491 ] [ 0.75 0.989369 0.167491 ] [ 0.25 0.489369 0.332509 ] [ 0.25 0.443185 0.878367 ] [ 0.75 0.201162 0.784983 ] [ 0.25 0.056815 0.378367 ] [ 0.75 0.943185 0.621633 ] [ 0.25 0.355708 0.54719 ] [ 0.25 0.798838 0.215017 ] [ 0.75 0.298838 0.284983 ] [ 0.25 0.701162 0.715017 ] [ 0.75 0.556815 0.121633 ] [ 0.75 0.855708 0.95281 ] [ 0.25 0.144292 0.04719 ] [ 0.75 0.644292 0.45281 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Bi" "Bi" "Bi" "Bi" "Pb" "Pb" "Pb" "Pb" "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" 4.06514257 "source-unit" "angstrom" } "b" { "source-value" 11.33537231 "source-unit" "angstrom" } "c" { "source-value" 11.85056499 "source-unit" "angstrom" } }