{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.78734 0 0.5 ] [ 0 0.362182 0 ] [ 0.21266 0 0.5 ] [ 0 0.637818 0 ] [ 0.28734 0.5 0.5 ] [ 0.5 0.862182 0 ] [ 0.71266 0.5 0.5 ] [ 0.5 0.137818 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.344313 0 0 ] [ 0.655687 0 0 ] [ 0.82795 0.677333 0.5 ] [ 0.17205 0.322667 0.5 ] [ 0.17205 0.677333 0.5 ] [ 0.82795 0.322667 0.5 ] [ 0.844313 0.5 0 ] [ 0.155687 0.5 0 ] [ 0.32795 0.177333 0.5 ] [ 0.67205 0.822667 0.5 ] [ 0.67205 0.177333 0.5 ] [ 0.32795 0.822667 0.5 ] [ 0 0.878125 0 ] [ 0 0.121875 0 ] [ 0.5 0.378125 0 ] [ 0.5 0.621875 0 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.66607787671 "source-unit" "angstrom" } "b" { "source-value" 13.4743161872 "source-unit" "angstrom" } "c" { "source-value" 3.95928789 "source-unit" "angstrom" } }