{ "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" [ [ 0.809685 0.25 0.617002 ] [ 0.795214 0.25 0.038218 ] [ 0.190315 0.75 0.382998 ] [ 0.204786 0.75 0.961782 ] [ 0.540389 0.75 0.754075 ] [ 0.459611 0.25 0.245925 ] [ 0.660238 0.75 0.296843 ] [ 0.339762 0.25 0.703157 ] [ 0.815284 0.75 0.826745 ] [ 0.184716 0.25 0.173255 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ga" "Ga" "Ge" "Ge" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.31790089209 "source-unit" "angstrom" } "b" { "source-value" 4.25230017 "source-unit" "angstrom" } "c" { "source-value" 9.40544346112 "source-unit" "angstrom" } "beta" { "source-value" 108.859202264 "source-unit" "degree" } }