{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.961379 0.5 0.274208 ] [ 0.037459 0 0.726822 ] [ 0.458317 0 0.228942 ] [ 0.540059 0.5 0.770614 ] [ 0.09203 0.5 0.592212 ] [ 0.403295 0.5 0.094446 ] [ 0.593795 0 0.905481 ] [ 0.916271 0 0.408021 ] [ 0.170692 0.5 0.439865 ] [ 0.238102 0.293748 0.665719 ] [ 0.238102 0.706252 0.665719 ] [ 0.230822 0 0.392667 ] [ 0.275795 0 0.887957 ] [ 0.250731 0.29696 0.170949 ] [ 0.250731 0.70304 0.170949 ] [ 0.338413 0.5 0.945098 ] [ 0.661104 0 0.056404 ] [ 0.739922 0.794731 0.830807 ] [ 0.739922 0.205269 0.830807 ] [ 0.721219 0.5 0.118692 ] [ 0.775192 0.5 0.606718 ] [ 0.770329 0.79166 0.330791 ] [ 0.770329 0.20834 0.330791 ] [ 0.825991 0 0.555316 ] ] } "species" { "source-value" [ "Mn" "Ni" "Ni" "Ni" "P" "P" "P" "P" "O" "O" "O" "O" "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" 4.78972322 "source-unit" "angstrom" } "b" { "source-value" 5.81482667 "source-unit" "angstrom" } "c" { "source-value" 9.91137807 "source-unit" "angstrom" } "beta" { "source-value" 90.18125284 "source-unit" "degree" } }