{ "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" [ [ 0.249618 0.252518 0.737091 ] [ 0.249618 0.747482 0.737091 ] [ 0.750092 0.75203 0.262978 ] [ 0.750092 0.24797 0.262978 ] [ 0.23609 0 0.081668 ] [ 0.761741 0.5 0.916439 ] [ 0.779614 0 0.648567 ] [ 0.219983 0.5 0.352391 ] [ 0.702955 0.5 0.590316 ] [ 0.296974 0 0.412816 ] [ 0.728875 0 0.940806 ] [ 0.271652 0.5 0.055698 ] [ 0.297766 0.5 0.91254 ] [ 0.953014 0 0.877138 ] [ 0.520501 0 0.857541 ] [ 0.780344 0.315124 0.68757 ] [ 0.780344 0.684876 0.68757 ] [ 0.163794 0 0.565346 ] [ 0.404765 0.5 0.563907 ] [ 0.595816 0 0.436882 ] [ 0.836434 0.5 0.437375 ] [ 0.21903 0.813496 0.317491 ] [ 0.21903 0.186504 0.317491 ] [ 0.475988 0.5 0.142261 ] [ 0.041948 0.5 0.113479 ] [ 0.713922 0 0.084572 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Li" "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" 5.18411095 "source-unit" "angstrom" } "b" { "source-value" 6.70115829 "source-unit" "angstrom" } "c" { "source-value" 8.97891162 "source-unit" "angstrom" } "beta" { "source-value" 90.98042028 "source-unit" "degree" } }