{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.515877 0.927769 0.249023 ] [ 0.984123 0.427769 0.250977 ] [ 0.484123 0.072231 0.750977 ] [ 0.015877 0.572231 0.749023 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.580119 0.485573 0.746311 ] [ 0.419881 0.514427 0.253689 ] [ 0.708384 0.188531 0.043592 ] [ 0.080119 0.014427 0.246311 ] [ 0.291616 0.811469 0.956408 ] [ 0.208384 0.311469 0.543592 ] [ 0.813393 0.713488 0.038742 ] [ 0.686607 0.213488 0.461258 ] [ 0.186607 0.286512 0.961258 ] [ 0.313393 0.786512 0.538742 ] [ 0.791616 0.688531 0.456408 ] [ 0.919881 0.985573 0.753689 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Te" "Te" "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" 7.68905692546 "source-unit" "angstrom" } "b" { "source-value" 8.03986967 "source-unit" "angstrom" } "c" { "source-value" 10.8367219554 "source-unit" "angstrom" } "beta" { "source-value" 90.2458159974 "source-unit" "degree" } }