{ "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" [ [ 0.073277 0.75 0.83838 ] [ 0.926723 0.25 0.16162 ] [ 0.572306 0.75 0.341227 ] [ 0.427694 0.25 0.658773 ] [ 0.664479 0.75 0.728474 ] [ 0.335521 0.25 0.271526 ] [ 0.145564 0.75 0.069169 ] [ 0.854436 0.25 0.930831 ] [ 0.687066 0.25 0.486518 ] [ 0.312934 0.75 0.513482 ] [ 0.050218 0.25 0.678532 ] [ 0.949782 0.75 0.321468 ] [ 0.340105 0.25 0.876704 ] [ 0.659895 0.75 0.123296 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.08874244672 "source-unit" "angstrom" } "b" { "source-value" 4.29015352 "source-unit" "angstrom" } "c" { "source-value" 13.7046958555 "source-unit" "angstrom" } "beta" { "source-value" 90.3093691959 "source-unit" "degree" } }