{ "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" [ [ 0.162959 0 0.666794 ] [ 0.5 0 0.5 ] [ 0.187875 0 0.152776 ] [ 0.5 0 0 ] [ 0.837041 0 0.333206 ] [ 0.812125 0 0.847224 ] [ 0.662959 0.5 0.666794 ] [ 0 0.5 0.5 ] [ 0.687875 0.5 0.152776 ] [ 0 0.5 0 ] [ 0.337041 0.5 0.333206 ] [ 0.312125 0.5 0.847224 ] [ 0.581621 0 0.785963 ] [ 0.418379 0 0.214037 ] [ 0.081621 0.5 0.785963 ] [ 0.918379 0.5 0.214037 ] [ 0 0.797545 0.5 ] [ 0.670606 0.808314 0.15224 ] [ 0.953833 0 0.141578 ] [ 0.271752 0 0.463571 ] [ 0.728248 0 0.536429 ] [ 0.046167 0 0.858422 ] [ 0.670606 0.191686 0.15224 ] [ 0 0.202455 0.5 ] [ 0.829394 0.691686 0.84776 ] [ 0.829394 0.308314 0.84776 ] [ 0.5 0.297545 0.5 ] [ 0.170606 0.308314 0.15224 ] [ 0.453833 0.5 0.141578 ] [ 0.771752 0.5 0.463571 ] [ 0.228248 0.5 0.536429 ] [ 0.546167 0.5 0.858422 ] [ 0.170606 0.691686 0.15224 ] [ 0.5 0.702455 0.5 ] [ 0.329394 0.191686 0.84776 ] [ 0.329394 0.808314 0.84776 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.4720774 "source-unit" "angstrom" } "b" { "source-value" 7.02914619 "source-unit" "angstrom" } "c" { "source-value" 7.35380914 "source-unit" "angstrom" } "beta" { "source-value" 109.91171416 "source-unit" "degree" } }