{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.771502 0.252539 0.521558 ] [ 0.462803 0.431379 0.209577 ] [ 0.228498 0.747461 0.478442 ] [ 0.200014 0.756188 0.02336 ] [ 0.537197 0.568621 0.790423 ] [ 0.799986 0.243812 0.97664 ] [ 0.082735 0.011442 0.750595 ] [ 0.917265 0.988558 0.249405 ] [ 0.284558 0.974387 0.268824 ] [ 0.759959 0.810606 0.390305 ] [ 0.080401 0.65883 0.73303 ] [ 0.715442 0.025613 0.731176 ] [ 0.240041 0.189394 0.609695 ] [ 0.728692 0.81806 0.067132 ] [ 0.919599 0.34117 0.26697 ] [ 0.271308 0.18194 0.932868 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.44544828 "source-unit" "angstrom" } "b" { "source-value" 6.72758795 "source-unit" "angstrom" } "c" { "source-value" 12.16312576 "source-unit" "angstrom" } "alpha" { "source-value" 95.12517227 "source-unit" "degree" } "beta" { "source-value" 98.51234379 "source-unit" "degree" } "gamma" { "source-value" 105.58815714 "source-unit" "degree" } }