{ "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" [ [ 0.825358 0.202035 0.95236 ] [ 0.876406 0.063778 0.32588 ] [ 0.123594 0.936222 0.67412 ] [ 0.590525 0.468465 0.315357 ] [ 0.174642 0.797965 0.04764 ] [ 0.409475 0.531535 0.684643 ] [ 0.771529 0.229447 0.642275 ] [ 0.228471 0.770553 0.357725 ] [ 0.5 0.5 0 ] [ 0.597857 0.247302 0.706025 ] [ 0.713007 0.504235 0.067302 ] [ 0.402143 0.752698 0.293975 ] [ 0.286993 0.495765 0.932698 ] [ 0.953864 0.211704 0.584921 ] [ 0.046136 0.788296 0.415079 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "C" "C" "C" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.4007380719 "source-unit" "angstrom" } "b" { "source-value" 7.08841547463 "source-unit" "angstrom" } "c" { "source-value" 10.058921629 "source-unit" "angstrom" } "alpha" { "source-value" 98.01379313 "source-unit" "degree" } "beta" { "source-value" 97.7338594262 "source-unit" "degree" } "gamma" { "source-value" 112.000016735 "source-unit" "degree" } }