{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.744359 0.5 ] [ 0.260519 0.5 0.997436 ] [ 0.5 0.732231 0 ] [ 0.729867 0.5 0.446288 ] [ 0.270133 0.5 0.553712 ] [ 0 0.767769 0 ] [ 0.739481 0.5 0.002564 ] [ 0.5 0.755641 0.5 ] [ 0.5 0.244359 0.5 ] [ 0.760519 0 0.997436 ] [ 0 0.232231 0 ] [ 0.229867 0 0.446288 ] [ 0.770133 0 0.553712 ] [ 0.5 0.267769 0 ] [ 0.239481 0 0.002564 ] [ 0 0.255641 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "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" 8.14552519 "source-unit" "angstrom" } "b" { "source-value" 8.4875776 "source-unit" "angstrom" } "c" { "source-value" 5.82526595 "source-unit" "angstrom" } "beta" { "source-value" 134.32556173 "source-unit" "degree" } }