{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.523211 0.25 0.224328 ] [ 0.023211 0.75 0.275672 ] [ 0.976789 0.25 0.724328 ] [ 0.476789 0.75 0.775672 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.59111 0.75 0.082324 ] [ 0.09111 0.25 0.417676 ] [ 0.90889 0.75 0.582324 ] [ 0.40889 0.25 0.917676 ] [ 0.252218 0.25 0.058025 ] [ 0.252188 0.75 0.077399 ] [ 0.72133 0.542346 0.140977 ] [ 0.72133 0.957654 0.140977 ] [ 0.22133 0.457654 0.359023 ] [ 0.22133 0.042346 0.359023 ] [ 0.752188 0.25 0.422601 ] [ 0.752218 0.75 0.441975 ] [ 0.247782 0.25 0.558025 ] [ 0.247812 0.75 0.577399 ] [ 0.77867 0.957654 0.640977 ] [ 0.77867 0.542346 0.640977 ] [ 0.27867 0.457654 0.859023 ] [ 0.27867 0.042346 0.859023 ] [ 0.747812 0.25 0.922601 ] [ 0.747782 0.75 0.941975 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "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" 4.31771083 "source-unit" "angstrom" } "b" { "source-value" 5.88046801 "source-unit" "angstrom" } "c" { "source-value" 10.054176 "source-unit" "angstrom" } }