{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C222" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.25 0.25 0.837062 ] [ 0.75 0.25 0.162938 ] [ 0.75 0.75 0.837062 ] [ 0.25 0.75 0.162938 ] [ 0.261535 0.894145 0.32831 ] [ 0.738465 0.894145 0.67169 ] [ 0 0.240923 0 ] [ 0 0.759077 0 ] [ 0.261535 0.105855 0.67169 ] [ 0.738465 0.105855 0.32831 ] [ 0.761535 0.394145 0.32831 ] [ 0.238465 0.394145 0.67169 ] [ 0.5 0.740923 0 ] [ 0.5 0.259077 0 ] [ 0.761535 0.605855 0.67169 ] [ 0.238465 0.605855 0.32831 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Si" "Si" "Si" "Si" "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" 5.37265532 "source-unit" "angstrom" } "b" { "source-value" 9.31361052 "source-unit" "angstrom" } "c" { "source-value" 5.65363254 "source-unit" "angstrom" } }