{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.834899 ] [ 0.5 0.5 0.165101 ] [ 0 0 0.334899 ] [ 0 0 0.665101 ] [ 0 0 0.085147 ] [ 0 0 0.914853 ] [ 0.5 0.5 0.585147 ] [ 0.5 0.5 0.414853 ] [ 0 0 0.204719 ] [ 0 0 0.795281 ] [ 0.5 0.5 0.704719 ] [ 0.5 0.5 0.295281 ] [ 0.5 0 0.102505 ] [ 0.5 0 0.897495 ] [ 0 0.5 0.093332 ] [ 0 0.5 0.906668 ] [ 0 0 0 ] [ 0 0.5 0.602505 ] [ 0 0.5 0.397495 ] [ 0.5 0 0.593332 ] [ 0.5 0 0.406668 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Y" "Y" "Y" "Y" "Ti" "Ti" "Ti" "Ti" "S" "S" "S" "S" "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" 3.85929648 "source-unit" "angstrom" } "b" { "source-value" 3.9612493 "source-unit" "angstrom" } "c" { "source-value" 22.3312881 "source-unit" "angstrom" } }