{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.268985 ] [ 0.5 0.25 0.731015 ] [ 0 0.75 0.751571 ] [ 0 0.25 0.248429 ] [ 0.5 0.576636 0.647488 ] [ 0.5 0.423364 0.352512 ] [ 0.5 0.076636 0.352512 ] [ 0.5 0.923364 0.647488 ] [ 0.5 0.75 0.901853 ] [ 0.5 0.25 0.098147 ] [ 0 0.75 0.42445 ] [ 0 0.25 0.57555 ] [ 0 0.545781 0.156643 ] [ 0 0.454219 0.843357 ] [ 0 0.045781 0.843357 ] [ 0 0.954219 0.156643 ] ] } "species" { "source-value" [ "Sr" "Sr" "Th" "Th" "Br" "Br" "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" 4.28545969 "source-unit" "angstrom" } "b" { "source-value" 9.37859076 "source-unit" "angstrom" } "c" { "source-value" 13.47064525 "source-unit" "angstrom" } }