{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.949801 0.672701 ] [ 0.75 0.050199 0.327299 ] [ 0.25 0.449801 0.827299 ] [ 0.75 0.550199 0.172701 ] [ 0.25 0.660555 0.449424 ] [ 0.75 0.339445 0.550576 ] [ 0.25 0.160555 0.050576 ] [ 0.75 0.839445 0.949424 ] [ 0.75 0.734216 0.796332 ] [ 0.25 0.265784 0.203668 ] [ 0.75 0.234216 0.703668 ] [ 0.25 0.765784 0.296332 ] [ 0.75 0.818694 0.50694 ] [ 0.25 0.181306 0.49306 ] [ 0.75 0.318694 0.99306 ] [ 0.25 0.681306 0.00694 ] [ 0.75 0.979872 0.097838 ] [ 0.25 0.020128 0.902162 ] [ 0.75 0.479872 0.402162 ] [ 0.25 0.520128 0.597838 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Fe" "Fe" "Fe" "Fe" "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" 4.08609177 "source-unit" "angstrom" } "b" { "source-value" 9.43143399 "source-unit" "angstrom" } "c" { "source-value" 15.09863542 "source-unit" "angstrom" } }