{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.575169 ] [ 0.75 0.5 0.238111 ] [ 0.75 0 0.261889 ] [ 0.75 0.5 0.924831 ] [ 0.25 0.5 0.075169 ] [ 0.25 0 0.424831 ] [ 0.25 0.5 0.761889 ] [ 0.25 0 0.738111 ] [ 0.75 0 0.909097 ] [ 0.75 0.5 0.590903 ] [ 0.25 0.5 0.409097 ] [ 0.25 0 0.090903 ] [ 0.3937 0.25 0.25 ] [ 0.426914 0.218403 0.923847 ] [ 0.426914 0.281597 0.576153 ] [ 0.573086 0.781597 0.076153 ] [ 0.573086 0.718403 0.423847 ] [ 0.6063 0.75 0.75 ] [ 0.8937 0.25 0.75 ] [ 0.926914 0.281597 0.423847 ] [ 0.926914 0.218403 0.076153 ] [ 0.073086 0.718403 0.576153 ] [ 0.073086 0.781597 0.923847 ] [ 0.1063 0.75 0.25 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "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" 4.97959161 "source-unit" "angstrom" } "b" { "source-value" 5.02652295 "source-unit" "angstrom" } "c" { "source-value" 8.5545694 "source-unit" "angstrom" } }