{ "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" [ [ 0.220768 0.5 0.656281 ] [ 0.779232 0.5 0.343719 ] [ 0 0 0.5 ] [ 0 0.259291 0 ] [ 0 0.740709 0 ] [ 0.720768 0 0.656281 ] [ 0.279232 0 0.343719 ] [ 0.5 0.5 0.5 ] [ 0.5 0.759291 0 ] [ 0.5 0.240709 0 ] [ 0.888404 0.225808 0.605287 ] [ 0.111596 0.225808 0.394713 ] [ 0.888404 0.774192 0.605287 ] [ 0.111596 0.774192 0.394713 ] [ 0.103338 0 0.908234 ] [ 0.896662 0 0.091766 ] [ 0.10536 0.5 0.932627 ] [ 0.89464 0.5 0.067373 ] [ 0.388404 0.725808 0.605287 ] [ 0.611596 0.725808 0.394713 ] [ 0.388404 0.274192 0.605287 ] [ 0.611596 0.274192 0.394713 ] [ 0.603338 0.5 0.908234 ] [ 0.396662 0.5 0.091766 ] [ 0.60536 0 0.932627 ] [ 0.39464 0 0.067373 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 10.46289358 "source-unit" "angstrom" } "b" { "source-value" 5.81607251 "source-unit" "angstrom" } "c" { "source-value" 4.94468023 "source-unit" "angstrom" } "beta" { "source-value" 109.41081872 "source-unit" "degree" } }