{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.483378 0.759176 ] [ 0 0.016622 0.759176 ] [ 0.749728 0.25 0.00476 ] [ 0.250272 0.25 0.00476 ] [ 0.749728 0.75 0.99524 ] [ 0 0.983378 0.240824 ] [ 0.250272 0.75 0.99524 ] [ 0 0.516622 0.240824 ] [ 0.5 0.983378 0.259176 ] [ 0.5 0.516622 0.259176 ] [ 0.249728 0.75 0.50476 ] [ 0.750272 0.75 0.50476 ] [ 0.249728 0.25 0.49524 ] [ 0.5 0.483378 0.740824 ] [ 0.750272 0.25 0.49524 ] [ 0.5 0.016622 0.740824 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Bi" "Bi" "Bi" "Bi" "I" "I" "I" "I" "I" "I" "I" "I" "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" 8.80477595797 "source-unit" "angstrom" } "b" { "source-value" 8.92827130959 "source-unit" "angstrom" } "c" { "source-value" 12.8730603035 "source-unit" "angstrom" } }