{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.945691 0 0.748959 ] [ 0 0 0.5 ] [ 0.054309 0 0.251041 ] [ 0.40605 0.5 0.87477 ] [ 0.474853 0.5 0.623784 ] [ 0.525147 0.5 0.376216 ] [ 0.59395 0.5 0.12523 ] [ 0.84021 0.5 0.047 ] [ 0.708028 0 0.425693 ] [ 0.662663 0 0.672743 ] [ 0.757733 0 0.175737 ] [ 0.242267 0 0.824263 ] [ 0.291972 0 0.574307 ] [ 0.337337 0 0.327257 ] [ 0.15979 0.5 0.953 ] [ 0.753835 0.5 0.799316 ] [ 0.809101 0.5 0.547499 ] [ 0.851144 0.5 0.296365 ] [ 0.637847 0 0.920577 ] [ 0.362153 0 0.079423 ] [ 0.148856 0.5 0.703635 ] [ 0.190899 0.5 0.452501 ] [ 0.246165 0.5 0.200684 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.8236659 "source-unit" "angstrom" } "b" { "source-value" 3.06373957 "source-unit" "angstrom" } "c" { "source-value" 19.0158363 "source-unit" "angstrom" } "beta" { "source-value" 95.09474381 "source-unit" "degree" } }