{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.72172 0.969831 0.623519 ] [ 0.22172 0.030169 0.876481 ] [ 0.27828 0.469831 0.376481 ] [ 0.77828 0.530169 0.123519 ] [ 0.27828 0.030169 0.376481 ] [ 0.77828 0.969831 0.123519 ] [ 0.72172 0.530169 0.623519 ] [ 0.22172 0.469831 0.876481 ] [ 0.200481 0.75 0.514682 ] [ 0.700481 0.25 0.985318 ] [ 0.799519 0.25 0.485318 ] [ 0.299519 0.75 0.014682 ] [ 0.287566 0.75 0.74087 ] [ 0.787566 0.25 0.75913 ] [ 0.712434 0.25 0.25913 ] [ 0.212434 0.75 0.24087 ] [ 0.678468 0.75 0.876407 ] [ 0.178468 0.25 0.623593 ] [ 0.321532 0.25 0.123593 ] [ 0.821532 0.75 0.376407 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.7298659 "source-unit" "angstrom" } "b" { "source-value" 10.92892745 "source-unit" "angstrom" } "c" { "source-value" 16.27565713 "source-unit" "angstrom" } }