{ "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" [ [ 0.963184 0.899929 0.75 ] [ 0.463184 0.600071 0.25 ] [ 0.536816 0.399929 0.75 ] [ 0.036816 0.100071 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.822482 0.186592 0.562568 ] [ 0.322482 0.313408 0.437432 ] [ 0.677518 0.686592 0.937432 ] [ 0.177518 0.813408 0.062568 ] [ 0.177518 0.813408 0.437432 ] [ 0.677518 0.686592 0.562568 ] [ 0.322482 0.313408 0.062568 ] [ 0.822482 0.186592 0.937432 ] [ 0.629455 0.961911 0.25 ] [ 0.129455 0.538089 0.75 ] [ 0.870545 0.461911 0.25 ] [ 0.370545 0.038089 0.75 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Sc" "Sc" "Sc" "Sc" "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" 6.5120221 "source-unit" "angstrom" } "b" { "source-value" 7.17247679 "source-unit" "angstrom" } "c" { "source-value" 9.55071156 "source-unit" "angstrom" } }