{ "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" [ [ 0.251238 0.75 0.06371 ] [ 0.753682 0.009224 0.233704 ] [ 0.753682 0.490776 0.233704 ] [ 0.246318 0.509224 0.766296 ] [ 0.246318 0.990776 0.766296 ] [ 0.748762 0.25 0.93629 ] [ 0.234775 0.25 0.338676 ] [ 0.765225 0.75 0.661324 ] [ 0.263719 0.25 0.062306 ] [ 0.736281 0.75 0.937694 ] [ 0.295414 0.75 0.417207 ] [ 0.704586 0.25 0.582793 ] [ 0.713524 0.75 0.087188 ] [ 0.030699 0.25 0.135156 ] [ 0.475866 0.25 0.157105 ] [ 0.221409 0.92233 0.329493 ] [ 0.221409 0.57767 0.329493 ] [ 0.576316 0.75 0.441515 ] [ 0.83141 0.25 0.436695 ] [ 0.16859 0.75 0.563305 ] [ 0.423684 0.25 0.558485 ] [ 0.778591 0.42233 0.670507 ] [ 0.778591 0.07767 0.670507 ] [ 0.524134 0.75 0.842895 ] [ 0.969301 0.75 0.864844 ] [ 0.286476 0.25 0.912812 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Mn" "Mn" "B" "B" "S" "S" "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" 5.30444232 "source-unit" "angstrom" } "b" { "source-value" 6.96668711 "source-unit" "angstrom" } "c" { "source-value" 9.0839341 "source-unit" "angstrom" } "beta" { "source-value" 90.41192326 "source-unit" "degree" } }