{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.127063 ] [ 0.75 0.5 0.372937 ] [ 0.25 0.5 0.627063 ] [ 0.25 0 0.872937 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.721158 0.992555 ] [ 0.75 0.278842 0.992555 ] [ 0.977371 0.5 0.766102 ] [ 0.022629 0 0.266102 ] [ 0.522629 0 0.733898 ] [ 0.477371 0.5 0.233898 ] [ 0.75 0.221158 0.507445 ] [ 0.75 0.778842 0.507445 ] [ 0.25 0.221158 0.492555 ] [ 0.25 0.778842 0.492555 ] [ 0.477371 0 0.266102 ] [ 0.522629 0.5 0.766102 ] [ 0.022629 0.5 0.233898 ] [ 0.977371 0 0.733898 ] [ 0.25 0.721158 0.007445 ] [ 0.25 0.278842 0.007445 ] ] } "species" { "source-value" [ "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" 5.94768863 "source-unit" "angstrom" } "b" { "source-value" 5.99516325 "source-unit" "angstrom" } "c" { "source-value" 8.36735274 "source-unit" "angstrom" } }