{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.200767 ] [ 0 0 0 ] [ 0 0.5 0.799233 ] [ 0.5 0 0.700767 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.299233 ] [ 0.5 0.357474 0 ] [ 0.5 0.642526 0 ] [ 0 0.857474 0.5 ] [ 0 0.142526 0.5 ] [ 0.5 0.244994 0.117516 ] [ 0.5 0.244994 0.882484 ] [ 0.5 0.755006 0.882484 ] [ 0.5 0.755006 0.117516 ] [ 0 0.744994 0.617516 ] [ 0 0.744994 0.382484 ] [ 0 0.255006 0.382484 ] [ 0 0.255006 0.617516 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "B" "B" "B" "B" "N" "N" "N" "N" "N" "N" "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" 3.6412597301 "source-unit" "angstrom" } "b" { "source-value" 6.4182955028 "source-unit" "angstrom" } "c" { "source-value" 10.9983730675 "source-unit" "angstrom" } }