{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.776738 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.75 0.223262 ] [ 0 0.25 0.241016 ] [ 0.5 0.5 0 ] [ 0 0.75 0.758984 ] [ 0.5 0 0 ] [ 0.5 0.25 0.132891 ] [ 0 0.523142 0.884259 ] [ 0.5 0.25 0.895889 ] [ 0.5 0.75 0.626914 ] [ 0 0.460124 0.632184 ] [ 0 0.539876 0.367816 ] [ 0 0.960124 0.367816 ] [ 0.5 0.25 0.373086 ] [ 0.5 0.75 0.104111 ] [ 0 0.023142 0.115741 ] [ 0 0.476858 0.115741 ] [ 0 0.976858 0.884259 ] [ 0.5 0.75 0.867109 ] [ 0 0.039876 0.632184 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Zr" "Zr" "Zr" "Zr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.65463747 "source-unit" "angstrom" } "b" { "source-value" 7.61800418 "source-unit" "angstrom" } "c" { "source-value" 10.87117336 "source-unit" "angstrom" } }