{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.939909 0 0.720759 ] [ 0.545689 0 0.224994 ] [ 0.446931 0.5 0.781353 ] [ 0.042907 0.5 0.27084 ] [ 0.914262 0.5 0.594793 ] [ 0.580505 0.5 0.094676 ] [ 0.415408 0 0.905777 ] [ 0.090617 0 0.403001 ] [ 0.842695 0.5 0.44519 ] [ 0.767977 0.701682 0.672185 ] [ 0.767977 0.298318 0.672185 ] [ 0.773899 0 0.384661 ] [ 0.730662 0 0.886755 ] [ 0.728439 0.704316 0.169833 ] [ 0.728439 0.295684 0.169833 ] [ 0.666726 0.5 0.94305 ] [ 0.343508 0 0.057924 ] [ 0.269273 0.202167 0.831273 ] [ 0.269273 0.797833 0.831273 ] [ 0.26909 0.5 0.105477 ] [ 0.229643 0.5 0.617404 ] [ 0.241704 0.201007 0.330035 ] [ 0.241704 0.798993 0.330035 ] [ 0.152764 0 0.556698 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Ni" "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" 4.83325636 "source-unit" "angstrom" } "b" { "source-value" 5.91789161 "source-unit" "angstrom" } "c" { "source-value" 9.83056963 "source-unit" "angstrom" } "beta" { "source-value" 90.12977083 "source-unit" "degree" } }