{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.010932 0.25 0.854175 ] [ 0.989068 0.75 0.145825 ] [ 0.472056 0.25 0.29346 ] [ 0.527944 0.75 0.70654 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0.905189 0.25 0.195808 ] [ 0.558366 0.75 0.337236 ] [ 0.441634 0.25 0.662764 ] [ 0.094811 0.75 0.804192 ] [ 0.928016 0.75 0.487103 ] [ 0.071984 0.25 0.512897 ] [ 0.836344 0.437723 0.093404 ] [ 0.836344 0.062277 0.093404 ] [ 0.831044 0.75 0.377353 ] [ 0.797756 0.25 0.333066 ] [ 0.840776 0.75 0.72227 ] [ 0.413418 0.25 0.059988 ] [ 0.472059 0.931282 0.235136 ] [ 0.472059 0.568718 0.235136 ] [ 0.528382 0.25 0.519881 ] [ 0.471618 0.75 0.480119 ] [ 0.527941 0.431282 0.764864 ] [ 0.527941 0.068718 0.764864 ] [ 0.586582 0.75 0.940012 ] [ 0.159224 0.25 0.27773 ] [ 0.202244 0.75 0.666934 ] [ 0.168956 0.25 0.622647 ] [ 0.163656 0.937723 0.906596 ] [ 0.163656 0.562277 0.906596 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "H" "H" "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" 6.16328418 "source-unit" "angstrom" } "b" { "source-value" 6.83976662 "source-unit" "angstrom" } "c" { "source-value" 8.93149721 "source-unit" "angstrom" } "beta" { "source-value" 107.28798335 "source-unit" "degree" } }