{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Icma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.773631 ] [ 0 0.75 0.226369 ] [ 0 0.25 0.226369 ] [ 0 0.25 0.773631 ] [ 0.5 0.75 0 ] [ 0.5 0.25 0 ] [ 0.5 0.25 0.273631 ] [ 0.5 0.25 0.726369 ] [ 0.5 0.75 0.726369 ] [ 0.5 0.75 0.273631 ] [ 0 0.25 0.5 ] [ 0 0.75 0.5 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.294767 0.5 0.858471 ] [ 0.294767 0 0.141529 ] [ 0.705233 0 0.858471 ] [ 0.705233 0.5 0.141529 ] [ 0.794767 0 0.358471 ] [ 0.794767 0.5 0.641529 ] [ 0.205233 0.5 0.358471 ] [ 0.205233 0 0.641529 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Au" "Au" "Au" "Au" "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" 5.80823349943 "source-unit" "angstrom" } "b" { "source-value" 6.35996423591 "source-unit" "angstrom" } "c" { "source-value" 11.3276809989 "source-unit" "angstrom" } }