{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.118129 0.26472 0.860864 ] [ 0.881871 0.76472 0.639136 ] [ 0.118129 0.23528 0.360864 ] [ 0.881871 0.73528 0.139136 ] [ 0.890165 0.249696 0.89075 ] [ 0.278689 0.1239 0.919375 ] [ 0.187109 0.407194 0.786705 ] [ 0.812891 0.907194 0.713295 ] [ 0.721311 0.6239 0.580625 ] [ 0.109835 0.749696 0.60925 ] [ 0.890165 0.250304 0.39075 ] [ 0.278689 0.3761 0.419375 ] [ 0.187109 0.092806 0.286705 ] [ 0.812891 0.592806 0.213295 ] [ 0.721311 0.8761 0.080625 ] [ 0.109835 0.750304 0.10925 ] ] } "species" { "source-value" [ "Mn" "Mn" "C" "C" "C" "C" "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" 5.27276266 "source-unit" "angstrom" } "b" { "source-value" 7.38030176 "source-unit" "angstrom" } "c" { "source-value" 6.84894689 "source-unit" "angstrom" } "beta" { "source-value" 114.00621115 "source-unit" "degree" } }