{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.461404 0.21585 0.25777 ] [ 0.006541 0.009526 0.996386 ] [ 0.74689 0.464133 0.712775 ] [ 0.50796 0.516808 0.00752 ] [ 0.988691 0.497695 0.497433 ] [ 0.241882 0.024834 0.783594 ] [ 0.21434 0.250519 0.461427 ] [ 0.716551 0.255107 0.969462 ] [ 0.038663 0.285982 0.749314 ] [ 0.960964 0.706237 0.249155 ] [ 0.277909 0.739949 0.021174 ] [ 0.784115 0.750452 0.528038 ] [ 0.753359 0.968511 0.215573 ] [ 0.49683 0.995376 0.507273 ] [ 0.251846 0.530336 0.280738 ] [ 0.539254 0.798014 0.756901 ] [ 0.463202 0.232583 0.510935 ] [ 0.957644 0.224634 0.465715 ] [ 0.736258 0.508054 0.962343 ] [ 0.027896 0.542013 0.771628 ] [ 0.231358 0.957439 0.990992 ] [ 0.986185 0.036206 0.762277 ] [ 0.722906 0.464762 0.449102 ] [ 0.482873 0.724466 0.948844 ] [ 0.970838 0.456385 0.228181 ] [ 0.775138 0.044003 0.011849 ] [ 0.262721 0.488425 0.035415 ] [ 0.048907 0.772404 0.535396 ] [ 0.458214 0.995079 0.729717 ] [ 0.235916 0.270964 0.230889 ] [ 0.730255 0.741179 0.270808 ] [ 0.530806 0.760335 0.489494 ] [ 0.274638 0.261927 0.729545 ] [ 0.763562 0.726718 0.774207 ] [ 0.547142 0.009172 0.274987 ] [ 0.771436 0.223743 0.734414 ] [ 0.277323 0.53109 0.550584 ] [ 0.015226 0.963201 0.238576 ] [ 0.512738 0.274107 0.046212 ] [ 0.229619 0.781784 0.26336 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.7004313 "source-unit" "angstrom" } "b" { "source-value" 8.73260649 "source-unit" "angstrom" } "c" { "source-value" 8.7376002 "source-unit" "angstrom" } "alpha" { "source-value" 109.5913978 "source-unit" "degree" } "beta" { "source-value" 109.47249673 "source-unit" "degree" } "gamma" { "source-value" 109.22151898 "source-unit" "degree" } }