{ "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" [ [ 0.75 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.25 0.5 ] [ 0 0 0.5 ] [ 0.75 0.75 0 ] [ 0 0 0 ] [ 0.25 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.25 0 ] [ 0.5 0.5 0 ] [ 0.520242 0.730748 0.015502 ] [ 0.709246 0.510911 0.941518 ] [ 0.790754 0.010911 0.558482 ] [ 0.020242 0.769252 0.515502 ] [ 0.479758 0.730748 0.484498 ] [ 0.709246 0.489089 0.441518 ] [ 0.790754 0.989089 0.058482 ] [ 0.979758 0.769252 0.984498 ] [ 0.020242 0.230748 0.015502 ] [ 0.209246 0.010911 0.941518 ] [ 0.290754 0.510911 0.558482 ] [ 0.520242 0.269252 0.515502 ] [ 0.979758 0.230748 0.484498 ] [ 0.209246 0.989089 0.441518 ] [ 0.290754 0.489089 0.058482 ] [ 0.479758 0.269252 0.984498 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 8.15080461 "source-unit" "angstrom" } "b" { "source-value" 8.30998662 "source-unit" "angstrom" } "c" { "source-value" 5.90269939 "source-unit" "angstrom" } "beta" { "source-value" 131.4666532 "source-unit" "degree" } }