{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.25 ] [ 0 0.5 0 ] [ 0.25 0.75 0.75 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.75 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.25 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.015001 0 0.244438 ] [ 0.25 0.239552 0.005907 ] [ 0.484999 0 0.244438 ] [ 0.25 0.760448 0.005907 ] [ 0.75 0.239552 0.994093 ] [ 0.515001 0 0.755562 ] [ 0.75 0.760448 0.994093 ] [ 0.984999 0 0.755562 ] [ 0.515001 0.5 0.744438 ] [ 0.75 0.739552 0.505907 ] [ 0.984999 0.5 0.744438 ] [ 0.75 0.260448 0.505907 ] [ 0.25 0.739552 0.494093 ] [ 0.015001 0.5 0.255562 ] [ 0.25 0.260448 0.494093 ] [ 0.484999 0.5 0.255562 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Cr" "Cr" "Cr" "Cr" "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" 5.90174716 "source-unit" "angstrom" } "b" { "source-value" 5.97926788 "source-unit" "angstrom" } "c" { "source-value" 8.37982054 "source-unit" "angstrom" } }