{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnna" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.696879 ] [ 0.5 0.25 0.803121 ] [ 0 0.75 0.303121 ] [ 0.5 0.75 0.196879 ] [ 0 0.25 0.09542 ] [ 0.5 0.25 0.40458 ] [ 0 0.75 0.90458 ] [ 0.5 0.75 0.59542 ] [ 0.75 0.096848 0.25 ] [ 0.695775 0.07132 0.580897 ] [ 0.804225 0.07132 0.919103 ] [ 0.304225 0.92868 0.419103 ] [ 0.195775 0.92868 0.080897 ] [ 0.25 0.903152 0.75 ] [ 0.75 0.596848 0.75 ] [ 0.804225 0.57132 0.080897 ] [ 0.695775 0.57132 0.419103 ] [ 0.195775 0.42868 0.919103 ] [ 0.304225 0.42868 0.580897 ] [ 0.25 0.403152 0.25 ] ] } "species" { "source-value" [ "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" 4.90058045 "source-unit" "angstrom" } "b" { "source-value" 4.97252619 "source-unit" "angstrom" } "c" { "source-value" 8.11935711 "source-unit" "angstrom" } }