{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.501046 0 ] [ 0.5 0.001046 0 ] [ 0 0.99297 0 ] [ 0 0.516333 0.5 ] [ 0.5 0.49297 0 ] [ 0.5 0.016333 0.5 ] [ 0.242889 0.248663 0.75272 ] [ 0.757111 0.248663 0.24728 ] [ 0.742889 0.748663 0.75272 ] [ 0.257111 0.748663 0.24728 ] [ 0.927293 0.633981 0.755253 ] [ 0.283071 0.849045 0.434513 ] [ 0.761134 0.877582 0.930857 ] [ 0.060266 0.135555 0.791339 ] [ 0.939734 0.135555 0.208661 ] [ 0.238866 0.877582 0.069143 ] [ 0.716929 0.849045 0.565487 ] [ 0.072707 0.633981 0.244747 ] [ 0.427293 0.133981 0.755253 ] [ 0.783071 0.349045 0.434513 ] [ 0.261134 0.377582 0.930857 ] [ 0.560266 0.635555 0.791339 ] [ 0.439734 0.635555 0.208661 ] [ 0.738866 0.377582 0.069143 ] [ 0.216929 0.349045 0.565487 ] [ 0.572707 0.133981 0.244747 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "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" 6.91393232 "source-unit" "angstrom" } "b" { "source-value" 7.70091347 "source-unit" "angstrom" } "c" { "source-value" 6.95067201 "source-unit" "angstrom" } "beta" { "source-value" 91.60827603 "source-unit" "degree" } }