{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.225343 0.75 0.087946 ] [ 0.743861 0.992137 0.267184 ] [ 0.743861 0.507863 0.267184 ] [ 0.256139 0.492137 0.732816 ] [ 0.256139 0.007863 0.732816 ] [ 0.774657 0.25 0.912054 ] [ 0.218741 0.25 0.351912 ] [ 0.781259 0.75 0.648088 ] [ 0.302436 0.75 0.427762 ] [ 0.697564 0.25 0.572238 ] [ 0.284379 0.25 0.057262 ] [ 0.715621 0.75 0.942738 ] [ 0.74815 0.75 0.083234 ] [ 0.083064 0.25 0.137723 ] [ 0.504677 0.25 0.119331 ] [ 0.239115 0.949725 0.319859 ] [ 0.239115 0.550275 0.319859 ] [ 0.612535 0.75 0.459926 ] [ 0.847048 0.25 0.421208 ] [ 0.152952 0.75 0.578792 ] [ 0.387465 0.25 0.540074 ] [ 0.760885 0.449725 0.680141 ] [ 0.760885 0.050275 0.680141 ] [ 0.495323 0.75 0.880669 ] [ 0.916936 0.75 0.862277 ] [ 0.25185 0.25 0.916766 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Mn" "Mn" "Si" "Si" "C" "C" "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" 5.31201909 "source-unit" "angstrom" } "b" { "source-value" 6.49056337 "source-unit" "angstrom" } "c" { "source-value" 9.15891175 "source-unit" "angstrom" } "beta" { "source-value" 91.56321701 "source-unit" "degree" } }