{ "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" [ [ 0.253626 0.465714 0.177016 ] [ 0.253626 0.034286 0.177016 ] [ 0.423022 0.75 0.492788 ] [ 0.576978 0.25 0.507212 ] [ 0.746374 0.965714 0.822984 ] [ 0.746374 0.534286 0.822984 ] [ 0.206576 0.75 0.864175 ] [ 0.793424 0.25 0.135825 ] [ 0.015185 0.75 0.218598 ] [ 0.122154 0.25 0.474425 ] [ 0.245633 0.454729 0.720179 ] [ 0.245633 0.045271 0.720179 ] [ 0.754367 0.954729 0.279821 ] [ 0.754367 0.545271 0.279821 ] [ 0.877846 0.75 0.525575 ] [ 0.984815 0.25 0.781402 ] [ 0.117189 0.391511 0.845517 ] [ 0.117189 0.108489 0.845517 ] [ 0.066259 0.75 0.431361 ] [ 0.076058 0.25 0.261911 ] [ 0.26479 0.388827 0.541298 ] [ 0.26479 0.111173 0.541298 ] [ 0.216418 0.75 0.134528 ] [ 0.362804 0.913894 0.778477 ] [ 0.362804 0.586106 0.778477 ] [ 0.637196 0.086106 0.221523 ] [ 0.637196 0.413894 0.221523 ] [ 0.783582 0.25 0.865472 ] [ 0.73521 0.888827 0.458702 ] [ 0.73521 0.611173 0.458702 ] [ 0.923942 0.75 0.738089 ] [ 0.933741 0.25 0.568639 ] [ 0.882811 0.891511 0.154483 ] [ 0.882811 0.608489 0.154483 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Ga" "Ga" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "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" 6.28100553 "source-unit" "angstrom" } "b" { "source-value" 8.78197827 "source-unit" "angstrom" } "c" { "source-value" 6.88167886 "source-unit" "angstrom" } "beta" { "source-value" 99.0171717 "source-unit" "degree" } }