{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.5 0.458771 0.752961 ] [ 0.73855 0.25 0.979191 ] [ 0 0.458771 0.747039 ] [ 0.26145 0.25 0.979191 ] [ 0.23855 0.25 0.520809 ] [ 0.5 0.041229 0.752961 ] [ 0.76145 0.25 0.520809 ] [ 0 0.041229 0.747039 ] [ 0 0.958771 0.252961 ] [ 0.23855 0.75 0.479191 ] [ 0.5 0.958771 0.247039 ] [ 0.76145 0.75 0.479191 ] [ 0.73855 0.75 0.020809 ] [ 0 0.541229 0.252961 ] [ 0.26145 0.75 0.020809 ] [ 0.5 0.541229 0.247039 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "O" "O" "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" 5.78379769 "source-unit" "angstrom" } "b" { "source-value" 5.97527004 "source-unit" "angstrom" } "c" { "source-value" 8.22208688 "source-unit" "angstrom" } }