{ "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 0.745425 0.38558 ] [ 0.75 0.254575 0.61442 ] [ 0.25 0.245425 0.11442 ] [ 0.75 0.754575 0.88558 ] [ 0.25 0.52287 0.664451 ] [ 0.75 0.47713 0.335549 ] [ 0.25 0.02287 0.835549 ] [ 0.75 0.97713 0.164451 ] [ 0.75 0.858176 0.57269 ] [ 0.25 0.141824 0.42731 ] [ 0.75 0.358176 0.92731 ] [ 0.25 0.641824 0.07269 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.41931608 "source-unit" "angstrom" } "b" { "source-value" 9.02369804 "source-unit" "angstrom" } "c" { "source-value" 10.84341753 "source-unit" "angstrom" } }