{ "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 0.784999 0.177504 ] [ 0 0.215001 0.177504 ] [ 0 0.784999 0.822496 ] [ 0 0.215001 0.822496 ] [ 0.5 0.5 0 ] [ 0.5 0.284999 0.677504 ] [ 0.5 0.715001 0.677504 ] [ 0.5 0.284999 0.322496 ] [ 0.5 0.715001 0.322496 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.242808 0 ] [ 0.5 0 0.197997 ] [ 0.5 0 0.802003 ] [ 0 0.757192 0 ] [ 0.5 0.742808 0.5 ] [ 0 0.5 0.697997 ] [ 0 0.5 0.302003 ] [ 0.5 0.257192 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.73584783 "source-unit" "angstrom" } "b" { "source-value" 6.77141389 "source-unit" "angstrom" } "c" { "source-value" 13.09049499 "source-unit" "angstrom" } }