{ "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" [ [ 0.767141 0.004049 0.209483 ] [ 0.767141 0.495951 0.209483 ] [ 0.232859 0.504049 0.790517 ] [ 0.232859 0.995951 0.790517 ] [ 0.223165 0.25 0.341802 ] [ 0.776835 0.75 0.658198 ] [ 0.265512 0.25 0.078637 ] [ 0.734488 0.75 0.921363 ] [ 0.264113 0.75 0.438579 ] [ 0.735887 0.25 0.561421 ] [ 0.685225 0.75 0.059185 ] [ 0.043177 0.25 0.147915 ] [ 0.453918 0.25 0.201484 ] [ 0.193996 0.941491 0.345828 ] [ 0.193996 0.558509 0.345828 ] [ 0.884523 0.25 0.420453 ] [ 0.544053 0.75 0.482874 ] [ 0.455947 0.25 0.517126 ] [ 0.115477 0.75 0.579547 ] [ 0.806004 0.441491 0.654172 ] [ 0.806004 0.058509 0.654172 ] [ 0.546082 0.75 0.798516 ] [ 0.956823 0.75 0.852085 ] [ 0.314775 0.25 0.940815 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "V" "V" "B" "B" "P" "P" "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" 5.43455992 "source-unit" "angstrom" } "b" { "source-value" 6.51227803 "source-unit" "angstrom" } "c" { "source-value" 9.16356626 "source-unit" "angstrom" } "beta" { "source-value" 92.79721487 "source-unit" "degree" } }