{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.5 ] [ 0 0.877357 0.25 ] [ 0 0.122643 0.75 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0.5 ] [ 0.5 0.377357 0.25 ] [ 0.5 0.622643 0.75 ] [ 0.75 0.25 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.720023 0.986448 0.456223 ] [ 0.017679 0.263831 0.496613 ] [ 0.982321 0.263831 0.003387 ] [ 0.720023 0.013552 0.956223 ] [ 0.982321 0.736169 0.503387 ] [ 0.279977 0.013552 0.543777 ] [ 0.279977 0.986448 0.043777 ] [ 0.017679 0.736169 0.996613 ] [ 0.220023 0.486448 0.456223 ] [ 0.517679 0.763831 0.496613 ] [ 0.482321 0.763831 0.003387 ] [ 0.220023 0.513552 0.956223 ] [ 0.482321 0.236169 0.503387 ] [ 0.779977 0.513552 0.543777 ] [ 0.779977 0.486448 0.043777 ] [ 0.517679 0.236169 0.996613 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Cr" "Cr" "Cr" "Cr" "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" 8.453677462 "source-unit" "angstrom" } "b" { "source-value" 8.55637325362 "source-unit" "angstrom" } "c" { "source-value" 6.12982348544 "source-unit" "angstrom" } "beta" { "source-value" 132.946972243 "source-unit" "degree" } }