{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.125912 0.744539 0.620305 ] [ 0.125912 0.255461 0.620305 ] [ 0.625912 0.244539 0.620305 ] [ 0.625912 0.755461 0.620305 ] [ 0.88902 0.5 0.138078 ] [ 0.987098 0 0.987781 ] [ 0.754698 0 0.27074 ] [ 0.875313 0.5 0.624096 ] [ 0.38902 0 0.138078 ] [ 0.487098 0.5 0.987781 ] [ 0.254698 0.5 0.27074 ] [ 0.375313 0 0.624096 ] [ 0.880299 0.716446 0.380547 ] [ 0.097309 0.5 0.351968 ] [ 0.868473 0.714311 0.868106 ] [ 0.868473 0.285689 0.868106 ] [ 0.880299 0.283554 0.380547 ] [ 0.380299 0.216446 0.380547 ] [ 0.597309 0 0.351968 ] [ 0.368473 0.214311 0.868106 ] [ 0.368473 0.785689 0.868106 ] [ 0.380299 0.783554 0.380547 ] [ 0.125325 0 0.39932 ] [ 0.144749 0 0.885151 ] [ 0.127122 0.5 0.854953 ] [ 0.625325 0.5 0.39932 ] [ 0.644749 0.5 0.885151 ] [ 0.627122 0 0.854953 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.68456378 "source-unit" "angstrom" } "b" { "source-value" 6.00366024 "source-unit" "angstrom" } "c" { "source-value" 5.89823935 "source-unit" "angstrom" } "beta" { "source-value" 123.15226139 "source-unit" "degree" } }