{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.157646 0.25 ] [ 0 0.842354 0.75 ] [ 0.5 0.657646 0.25 ] [ 0.5 0.342354 0.75 ] [ 0 0.327363 0.75 ] [ 0 0.672637 0.25 ] [ 0.5 0.827363 0.75 ] [ 0.5 0.172637 0.25 ] [ 0.750356 0.08771 0.756469 ] [ 0.249644 0.08771 0.743531 ] [ 0.750356 0.91229 0.256469 ] [ 0.249644 0.91229 0.243531 ] [ 0.250356 0.58771 0.756469 ] [ 0.749644 0.58771 0.743531 ] [ 0.250356 0.41229 0.256469 ] [ 0.749644 0.41229 0.243531 ] [ 0.363173 0.939652 0.920972 ] [ 0.877628 0.807083 0.391953 ] [ 0.854145 0.048722 0.444559 ] [ 0.145855 0.048722 0.055441 ] [ 0.877628 0.192917 0.891953 ] [ 0.122372 0.192917 0.608047 ] [ 0.122372 0.807083 0.108047 ] [ 0.636827 0.939652 0.579028 ] [ 0.636827 0.060348 0.079028 ] [ 0.363173 0.060348 0.420972 ] [ 0.145855 0.951278 0.555441 ] [ 0.118223 0.319008 0.087127 ] [ 0.118223 0.680992 0.587127 ] [ 0.881777 0.680992 0.912873 ] [ 0.854145 0.951278 0.944559 ] [ 0.881777 0.319008 0.412873 ] [ 0.863173 0.439652 0.920972 ] [ 0.377628 0.307083 0.391953 ] [ 0.354145 0.548722 0.444559 ] [ 0.645855 0.548722 0.055441 ] [ 0.377628 0.692917 0.891953 ] [ 0.622372 0.692917 0.608047 ] [ 0.622372 0.307083 0.108047 ] [ 0.136827 0.439652 0.579028 ] [ 0.136827 0.560348 0.079028 ] [ 0.863173 0.560348 0.420972 ] [ 0.645855 0.451278 0.555441 ] [ 0.618223 0.819008 0.087127 ] [ 0.618223 0.180992 0.587127 ] [ 0.381777 0.180992 0.912873 ] [ 0.354145 0.451278 0.944559 ] [ 0.381777 0.819008 0.412873 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "W" "W" "W" "W" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.42953583728 "source-unit" "angstrom" } "b" { "source-value" 11.5653238346 "source-unit" "angstrom" } "c" { "source-value" 5.01923818705 "source-unit" "angstrom" } "beta" { "source-value" 91.2206290796 "source-unit" "degree" } }