{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.968144 0.024699 0.25 ] [ 0.531856 0.524699 0.25 ] [ 0.468144 0.475301 0.75 ] [ 0.031856 0.975301 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.725213 0.272835 0.041101 ] [ 0.225213 0.227165 0.541101 ] [ 0.274787 0.727165 0.541101 ] [ 0.225213 0.227165 0.958899 ] [ 0.725213 0.272835 0.458899 ] [ 0.274787 0.727165 0.958899 ] [ 0.774787 0.772835 0.458899 ] [ 0.774787 0.772835 0.041101 ] [ 0.390462 0.976994 0.25 ] [ 0.609538 0.023006 0.75 ] [ 0.890462 0.523006 0.75 ] [ 0.109538 0.476994 0.25 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.54797237 "source-unit" "angstrom" } "b" { "source-value" 5.65444549 "source-unit" "angstrom" } "c" { "source-value" 8.3097343 "source-unit" "angstrom" } }