{ "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" [ [ 0.248621 0.75 0.064553 ] [ 0.753955 0.007595 0.242144 ] [ 0.753955 0.492405 0.242144 ] [ 0.246045 0.507595 0.757856 ] [ 0.246045 0.992405 0.757856 ] [ 0.751379 0.25 0.935447 ] [ 0.229737 0.25 0.33607 ] [ 0.770263 0.75 0.66393 ] [ 0.265073 0.25 0.066269 ] [ 0.734927 0.75 0.933731 ] [ 0.290219 0.75 0.41939 ] [ 0.709781 0.25 0.58061 ] [ 0.712025 0.75 0.084385 ] [ 0.031715 0.25 0.139147 ] [ 0.474193 0.25 0.166305 ] [ 0.221929 0.926547 0.326844 ] [ 0.221929 0.573453 0.326844 ] [ 0.571978 0.75 0.453631 ] [ 0.849642 0.25 0.438325 ] [ 0.150358 0.75 0.561675 ] [ 0.428022 0.25 0.546369 ] [ 0.778071 0.426547 0.673156 ] [ 0.778071 0.073453 0.673156 ] [ 0.525807 0.75 0.833695 ] [ 0.968285 0.75 0.860853 ] [ 0.287975 0.25 0.915615 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "B" "B" "S" "S" "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" 5.24783099 "source-unit" "angstrom" } "b" { "source-value" 6.74605816 "source-unit" "angstrom" } "c" { "source-value" 8.96410741 "source-unit" "angstrom" } "beta" { "source-value" 91.26272446 "source-unit" "degree" } }