{ "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" [ [ 0.842042 0.5 0.495678 ] [ 0.157958 0.5 0.504322 ] [ 0 0 0 ] [ 0.342042 0 0.495678 ] [ 0.657958 0 0.504322 ] [ 0.5 0.5 0 ] [ 0.055693 0.5 0.786458 ] [ 0.944307 0.5 0.213542 ] [ 0.108013 0 0.276757 ] [ 0.891987 0 0.723243 ] [ 0.222613 0 0.710071 ] [ 0.777387 0 0.289929 ] [ 0.555693 0 0.786458 ] [ 0.444307 0 0.213542 ] [ 0.608013 0.5 0.276757 ] [ 0.391987 0.5 0.723243 ] [ 0.722613 0.5 0.710071 ] [ 0.277387 0.5 0.289929 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 13.97914779 "source-unit" "angstrom" } "b" { "source-value" 2.92321558 "source-unit" "angstrom" } "c" { "source-value" 4.48085742 "source-unit" "angstrom" } "beta" { "source-value" 90.85253 "source-unit" "degree" } }