{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.776226 0.869981 0.110927 ] [ 0.223774 0.130019 0.610927 ] [ 0.723774 0.369981 0.110927 ] [ 0.276226 0.630019 0.610927 ] [ 0.276226 0.630019 0.889073 ] [ 0.723774 0.369981 0.389073 ] [ 0.223774 0.130019 0.889073 ] [ 0.776226 0.869981 0.389073 ] [ 0.830075 0.599977 0.75 ] [ 0.169925 0.400023 0.25 ] [ 0.669925 0.099977 0.75 ] [ 0.330075 0.900023 0.25 ] [ 0.352998 0.888242 0.75 ] [ 0.647002 0.111758 0.25 ] [ 0.147002 0.388242 0.75 ] [ 0.852998 0.611758 0.25 ] [ 0.759741 0.876225 0.567629 ] [ 0.240259 0.123775 0.067629 ] [ 0.740259 0.376225 0.567629 ] [ 0.259741 0.623775 0.067629 ] [ 0.259741 0.623775 0.432371 ] [ 0.740259 0.376225 0.932371 ] [ 0.240259 0.123775 0.432371 ] [ 0.759741 0.876225 0.932371 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "S" "S" "S" "S" "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" 4.05671022 "source-unit" "angstrom" } "b" { "source-value" 7.98693788 "source-unit" "angstrom" } "c" { "source-value" 16.09305361 "source-unit" "angstrom" } }