{ "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" [ [ 0.830472 0.66509 0.205774 ] [ 0.415923 0.346986 0.292251 ] [ 0.738584 0.255668 0.378594 ] [ 0.163879 0.583993 0.291585 ] [ 0.515184 0.753787 0.375345 ] [ 0.914238 0.084851 0.292005 ] [ 0.172504 0.331489 0.537599 ] [ 0.747191 0.993017 0.625922 ] [ 0.252809 0.006983 0.374078 ] [ 0.827496 0.668511 0.462401 ] [ 0.085762 0.915149 0.707995 ] [ 0.484816 0.246213 0.624655 ] [ 0.836121 0.416007 0.708415 ] [ 0.261416 0.744332 0.621406 ] [ 0.497534 0.999074 0.871533 ] [ 0.090516 0.671788 0.959711 ] [ 0.584077 0.653014 0.707749 ] [ 0.169528 0.33491 0.794226 ] [ 0.410487 0.583168 0.042871 ] [ 0.826395 0.912751 0.955166 ] [ 0.173605 0.087249 0.044834 ] [ 0.589513 0.416832 0.957129 ] [ 0.909484 0.328212 0.040289 ] [ 0.502466 0.000926 0.128467 ] [ 0.163052 0.831864 0.167463 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.836948 0.168136 0.832537 ] [ 0 0 0.5 ] [ 0.333137 0.166379 0.834233 ] [ 0.836542 0.666563 0.833948 ] [ 0.666863 0.833621 0.165767 ] [ 0.163458 0.333437 0.166052 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.14986280654 "source-unit" "angstrom" } "b" { "source-value" 9.21498717855 "source-unit" "angstrom" } "c" { "source-value" 11.3314577208 "source-unit" "angstrom" } "alpha" { "source-value" 90.5177997676 "source-unit" "degree" } "beta" { "source-value" 89.9702585922 "source-unit" "degree" } "gamma" { "source-value" 119.7654943 "source-unit" "degree" } }