{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.249143 0.5 0.292708 ] [ 0.750857 0.5 0.707292 ] [ 0.749143 0 0.292708 ] [ 0.250857 0 0.707292 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.148638 0.5 0.96485 ] [ 0.851362 0.5 0.03515 ] [ 0.019072 0 0.255521 ] [ 0.980928 0 0.744479 ] [ 0 0 0 ] [ 0.648638 0 0.96485 ] [ 0.351362 0 0.03515 ] [ 0.519072 0.5 0.255521 ] [ 0.480928 0.5 0.744479 ] [ 0.5 0.5 0 ] [ 0.913657 0.5 0.257811 ] [ 0.157362 0 0.101219 ] [ 0.842638 0 0.898781 ] [ 0.086343 0.5 0.742189 ] [ 0.868822 0 0.551197 ] [ 0.131178 0 0.448803 ] [ 0.413657 0 0.257811 ] [ 0.657362 0.5 0.101219 ] [ 0.342638 0.5 0.898781 ] [ 0.586343 0 0.742189 ] [ 0.368822 0.5 0.551197 ] [ 0.631178 0.5 0.448803 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "La" "La" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.151405668 "source-unit" "angstrom" } "b" { "source-value" 4.28924786 "source-unit" "angstrom" } "c" { "source-value" 11.3435247903 "source-unit" "angstrom" } "beta" { "source-value" 95.173244838 "source-unit" "degree" } }