{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.249084 0.834207 0.994797 ] [ 0.72779 0.143816 0.995382 ] [ 0.518127 0.632093 0.758114 ] [ 0.998402 0.349065 0.745459 ] [ 0.249084 0.165793 0.494797 ] [ 0.72779 0.856184 0.495382 ] [ 0.998402 0.650935 0.245459 ] [ 0.518127 0.367907 0.258114 ] [ 0.807748 0.880436 0.885781 ] [ 0.294864 0.107513 0.881384 ] [ 0.290652 0.601246 0.864651 ] [ 0.792741 0.381175 0.868006 ] [ 0.713168 0.61304 0.634219 ] [ 0.219274 0.387806 0.635359 ] [ 0.687647 0.112233 0.614408 ] [ 0.294864 0.892487 0.381384 ] [ 0.807748 0.119564 0.385781 ] [ 0.792741 0.618825 0.368006 ] [ 0.290652 0.398754 0.364651 ] [ 0.219274 0.612194 0.135359 ] [ 0.713168 0.38696 0.134219 ] [ 0.687647 0.887767 0.114408 ] [ 0.200501 0.878691 0.622441 ] [ 0.200501 0.121309 0.122441 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.96120055 "source-unit" "angstrom" } "b" { "source-value" 5.48504766 "source-unit" "angstrom" } "c" { "source-value" 10.19702364 "source-unit" "angstrom" } "beta" { "source-value" 118.94350525 "source-unit" "degree" } }