{ "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 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.832619 0 0.165012 ] [ 0.667381 0.5 0.834988 ] [ 0.332619 0.5 0.165012 ] [ 0.167381 0 0.834988 ] [ 0.841137 0.5 0.385509 ] [ 0.677717 0 0.057512 ] [ 0.658863 0 0.614491 ] [ 0.011925 0 0.727619 ] [ 0.988075 0 0.272381 ] [ 0.822283 0.5 0.942488 ] [ 0.341137 0 0.385509 ] [ 0.177717 0.5 0.057512 ] [ 0.158863 0.5 0.614491 ] [ 0.511925 0.5 0.727619 ] [ 0.488075 0.5 0.272381 ] [ 0.322283 0 0.942488 ] ] } "species" { "source-value" [ "Ti" "Ti" "Mn" "Mn" "Mn" "Mn" "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" 12.73029738 "source-unit" "angstrom" } "b" { "source-value" 2.95692967 "source-unit" "angstrom" } "c" { "source-value" 5.82630629 "source-unit" "angstrom" } "beta" { "source-value" 102.16580889 "source-unit" "degree" } }