{ "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" [ [ 0.194274 0.5 0.064881 ] [ 0.805726 0.5 0.935119 ] [ 0.106857 0.5 0.304562 ] [ 0.893143 0.5 0.695438 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.694274 0 0.064881 ] [ 0.305726 0 0.935119 ] [ 0.606857 0 0.304562 ] [ 0.393143 0 0.695438 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.939279 0 0.224621 ] [ 0.060721 0 0.775379 ] [ 0.750205 0 0.679656 ] [ 0.249795 0 0.320344 ] [ 0.439279 0.5 0.224621 ] [ 0.560721 0.5 0.775379 ] [ 0.250205 0.5 0.679656 ] [ 0.749795 0.5 0.320344 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.0322407936 "source-unit" "angstrom" } "b" { "source-value" 3.47499615032 "source-unit" "angstrom" } "c" { "source-value" 8.70040060527 "source-unit" "angstrom" } "beta" { "source-value" 132.571955004 "source-unit" "degree" } }