{ "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" [ [ 0.749788 0.997318 0.264722 ] [ 0.250212 0.002682 0.735278 ] [ 0.764025 0.25 0.9181 ] [ 0.235975 0.75 0.0819 ] [ 0.250212 0.497318 0.735278 ] [ 0.749788 0.502682 0.264722 ] [ 0.779613 0.75 0.647457 ] [ 0.220387 0.25 0.352543 ] [ 0.703038 0.25 0.586387 ] [ 0.296962 0.75 0.413613 ] [ 0.272058 0.25 0.059078 ] [ 0.727942 0.75 0.940922 ] [ 0.221462 0.563447 0.318369 ] [ 0.161706 0.75 0.564079 ] [ 0.221462 0.936553 0.318369 ] [ 0.778538 0.436553 0.681631 ] [ 0.778538 0.063447 0.681631 ] [ 0.838294 0.25 0.435921 ] [ 0.71394 0.75 0.083483 ] [ 0.28606 0.25 0.916517 ] [ 0.59207 0.75 0.438582 ] [ 0.40793 0.25 0.561418 ] [ 0.050664 0.25 0.123059 ] [ 0.521472 0.75 0.858916 ] [ 0.478528 0.25 0.141084 ] [ 0.949336 0.75 0.876941 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "P" "P" "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" 5.2451336012 "source-unit" "angstrom" } "b" { "source-value" 6.68076641 "source-unit" "angstrom" } "c" { "source-value" 9.06087357386 "source-unit" "angstrom" } "beta" { "source-value" 90.7833556375 "source-unit" "degree" } }