{ "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" [ [ 0.245007 0 0.296167 ] [ 0.754993 0 0.703833 ] [ 0.745007 0.5 0.296167 ] [ 0.254993 0.5 0.703833 ] [ 0.109262 0.5 0.921142 ] [ 0.890738 0.5 0.078858 ] [ 0.609262 0 0.921142 ] [ 0.390738 0 0.078858 ] [ 0.031689 0 0.71636 ] [ 0.968311 0 0.28364 ] [ 0.531689 0.5 0.71636 ] [ 0.468311 0.5 0.28364 ] [ 0 0.5 0 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Mn" "Mn" "Mn" "Mn" "As" "As" "As" "As" "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" 12.4630106095 "source-unit" "angstrom" } "b" { "source-value" 4.31150031464 "source-unit" "angstrom" } "c" { "source-value" 10.5855870037 "source-unit" "angstrom" } "beta" { "source-value" 142.232820229 "source-unit" "degree" } }