{ "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" [ [ 0.233671 0.75 0.087071 ] [ 0.743776 0.992068 0.26711 ] [ 0.743776 0.507932 0.26711 ] [ 0.256224 0.492068 0.73289 ] [ 0.256224 0.007932 0.73289 ] [ 0.766329 0.25 0.912929 ] [ 0.216265 0.25 0.343959 ] [ 0.783735 0.75 0.656041 ] [ 0.278143 0.75 0.421032 ] [ 0.721857 0.25 0.578968 ] [ 0.269805 0.25 0.066847 ] [ 0.730195 0.75 0.933153 ] [ 0.699271 0.75 0.081221 ] [ 0.035133 0.25 0.131979 ] [ 0.469786 0.25 0.172055 ] [ 0.21989 0.945307 0.314957 ] [ 0.21989 0.554693 0.314957 ] [ 0.584359 0.75 0.471848 ] [ 0.88429 0.25 0.426441 ] [ 0.11571 0.75 0.573559 ] [ 0.415641 0.25 0.528152 ] [ 0.78011 0.445307 0.685043 ] [ 0.78011 0.054693 0.685043 ] [ 0.530214 0.75 0.827945 ] [ 0.964867 0.75 0.868021 ] [ 0.300729 0.25 0.918779 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Si" "Si" "B" "B" "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" 5.27498961 "source-unit" "angstrom" } "b" { "source-value" 6.70342615 "source-unit" "angstrom" } "c" { "source-value" 8.97514951 "source-unit" "angstrom" } "beta" { "source-value" 91.83988144 "source-unit" "degree" } }