{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.850031 0.5 0.516613 ] [ 0.66274 0.5 0.81549 ] [ 0.33726 0.5 0.18451 ] [ 0.149969 0.5 0.483387 ] [ 0.350031 0 0.516613 ] [ 0.16274 0 0.81549 ] [ 0.83726 0 0.18451 ] [ 0.649969 0 0.483387 ] [ 0.041934 0.5 0.718406 ] [ 0.15864 0 0.35934 ] [ 0.657533 0.5 0.615939 ] [ 0.208375 0 0.057379 ] [ 0.791625 0 0.942621 ] [ 0.342467 0.5 0.384061 ] [ 0.84136 0 0.64066 ] [ 0.958066 0.5 0.281594 ] [ 0.541934 0 0.718406 ] [ 0.65864 0.5 0.35934 ] [ 0.157533 0 0.615939 ] [ 0.708375 0.5 0.057379 ] [ 0.291625 0.5 0.942621 ] [ 0.842467 0 0.384061 ] [ 0.34136 0.5 0.64066 ] [ 0.458066 0 0.281594 ] ] } "species" { "source-value" [ "Rb" "Rb" "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" 14.0694855 "source-unit" "angstrom" } "b" { "source-value" 3.0049609 "source-unit" "angstrom" } "c" { "source-value" 9.96948799 "source-unit" "angstrom" } "beta" { "source-value" 134.22867189 "source-unit" "degree" } }