{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbaa" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.423606 ] [ 0.25 0 0.576394 ] [ 0.75 0.5 0.576394 ] [ 0.25 0.5 0.423606 ] [ 0.25 0 0.92735 ] [ 0.75 0 0.07265 ] [ 0.75 0.5 0.92735 ] [ 0.25 0.5 0.07265 ] [ 0.75 0 0.237218 ] [ 0.25 0 0.762782 ] [ 0.25 0.5 0.237218 ] [ 0.75 0.5 0.762782 ] [ 0.25 0.5 0.576846 ] [ 0.75 0.5 0.423154 ] [ 0.38975 0.375318 0.204474 ] [ 0.61025 0.875318 0.204474 ] [ 0.38975 0.124682 0.795526 ] [ 0.11025 0.624682 0.204474 ] [ 0.509978 0.25 0 ] [ 0.009978 0.25 0 ] [ 0.61025 0.624682 0.795526 ] [ 0.88975 0.375318 0.795526 ] [ 0.25 0 0.423154 ] [ 0.990022 0.75 0 ] [ 0.75 0 0.576846 ] [ 0.11025 0.875318 0.795526 ] [ 0.490022 0.75 0 ] [ 0.88975 0.124682 0.204474 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "La" "La" "La" "La" "C" "C" "C" "C" "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" 5.92530882 "source-unit" "angstrom" } "b" { "source-value" 5.95792942 "source-unit" "angstrom" } "c" { "source-value" 16.61528961 "source-unit" "angstrom" } }