{ "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 0 0.5 ] [ 0 0 0 ] [ 0.540657 0.713146 0.598396 ] [ 0.235038 0.66632 0.670338 ] [ 0.764962 0.33368 0.329662 ] [ 0.209886 0.447931 0.221869 ] [ 0.548896 0.276145 0.173911 ] [ 0.451104 0.723855 0.826089 ] [ 0.646724 0.427973 0.609082 ] [ 0.353276 0.572027 0.390918 ] [ 0.790114 0.552069 0.778131 ] [ 0.714868 0.499887 0.111468 ] [ 0.714975 0.296466 0.837013 ] [ 0.285025 0.703534 0.162987 ] [ 0.341291 0.251206 0.768387 ] [ 0.658709 0.748794 0.231613 ] [ 0.285132 0.500113 0.888532 ] [ 0.459343 0.286854 0.401604 ] [ 0.904278 0.113524 0.630765 ] [ 0.095722 0.886476 0.369235 ] [ 0.675738 0.984156 0.424543 ] [ 0.324262 0.015844 0.575457 ] [ 0.93094 0.73748 0.517799 ] [ 0.06906 0.26252 0.482201 ] [ 0.995129 0.938536 0.851585 ] [ 0.004871 0.061464 0.148415 ] [ 0.69803 0.106295 0.976089 ] [ 0.30197 0.893705 0.023911 ] [ 0.83503 0.741256 0.984665 ] [ 0.16497 0.258744 0.015335 ] ] } "species" { "source-value" [ "Hf" "Hf" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.32327239311 "source-unit" "angstrom" } "b" { "source-value" 9.00442779306 "source-unit" "angstrom" } "c" { "source-value" 16.9977613572 "source-unit" "angstrom" } "alpha" { "source-value" 103.94775092 "source-unit" "degree" } "beta" { "source-value" 100.106070735 "source-unit" "degree" } "gamma" { "source-value" 93.6637341635 "source-unit" "degree" } }