{ "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" [ [ 0.323318 0.177326 0.874479 ] [ 0.249307 0.677934 0.411179 ] [ 0.750693 0.322066 0.588821 ] [ 0.676682 0.822674 0.125521 ] [ 0.248395 0.676656 0.912385 ] [ 0.176693 0.748776 0.662335 ] [ 0.25007 0.249379 0.623998 ] [ 0.175995 0.750272 0.160847 ] [ 0.323398 0.177365 0.374395 ] [ 0.251206 0.250414 0.125344 ] [ 0.748794 0.749586 0.874656 ] [ 0.676602 0.822635 0.625605 ] [ 0.824005 0.249728 0.839153 ] [ 0.74993 0.750621 0.376002 ] [ 0.823307 0.251224 0.337665 ] [ 0.751605 0.323344 0.087615 ] [ 0.006108 0.774063 0.887364 ] [ 0.035277 0.466103 0.879124 ] [ 0.038534 0.153032 0.840081 ] [ 0.004158 0.781632 0.389239 ] [ 0.187307 0.651607 0.778737 ] [ 0.244824 0.953865 0.763199 ] [ 0.026677 0.45472 0.36835 ] [ 0.312999 0.935151 0.923917 ] [ 0.218413 0.221986 0.998664 ] [ 0.223378 0.992611 0.611436 ] [ 0.150543 0.686092 0.532928 ] [ 0.053787 0.15279 0.34266 ] [ 0.345157 0.460325 0.908632 ] [ 0.276025 0.280213 0.751067 ] [ 0.277965 0.508409 0.639958 ] [ 0.177697 0.654649 0.267868 ] [ 0.251983 0.967302 0.267931 ] [ 0.318164 0.960984 0.422563 ] [ 0.221343 0.225158 0.495515 ] [ 0.223161 0.993668 0.111237 ] [ 0.150401 0.685138 0.02647 ] [ 0.493937 0.723598 0.859927 ] [ 0.447302 0.813577 0.674213 ] [ 0.348138 0.436161 0.406705 ] [ 0.275831 0.275532 0.253863 ] [ 0.276445 0.506003 0.136697 ] [ 0.545166 0.252912 0.985949 ] [ 0.471492 0.752771 0.522609 ] [ 0.56547 0.183978 0.824947 ] [ 0.504719 0.276364 0.640243 ] [ 0.495281 0.723636 0.359757 ] [ 0.43453 0.816022 0.175053 ] [ 0.528508 0.247229 0.477391 ] [ 0.454834 0.747088 0.014051 ] [ 0.723555 0.493997 0.863303 ] [ 0.724169 0.724468 0.746137 ] [ 0.651862 0.563839 0.593295 ] [ 0.552698 0.186423 0.325787 ] [ 0.506063 0.276402 0.140073 ] [ 0.849599 0.314862 0.97353 ] [ 0.776839 0.006332 0.888763 ] [ 0.778657 0.774842 0.504485 ] [ 0.681836 0.039016 0.577437 ] [ 0.748017 0.032698 0.732069 ] [ 0.822303 0.345351 0.732132 ] [ 0.722035 0.491591 0.360042 ] [ 0.723975 0.719787 0.248933 ] [ 0.654843 0.539675 0.091368 ] [ 0.946213 0.84721 0.65734 ] [ 0.849457 0.313908 0.467072 ] [ 0.776622 0.007389 0.388564 ] [ 0.781587 0.778014 0.001336 ] [ 0.687001 0.064849 0.076083 ] [ 0.973323 0.54528 0.63165 ] [ 0.755176 0.046135 0.236801 ] [ 0.812693 0.348393 0.221263 ] [ 0.995842 0.218368 0.610761 ] [ 0.961466 0.846968 0.159919 ] [ 0.964723 0.533897 0.120876 ] [ 0.993892 0.225937 0.112636 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.21668886325 "source-unit" "angstrom" } "b" { "source-value" 8.22261179839 "source-unit" "angstrom" } "c" { "source-value" 16.4374577342 "source-unit" "angstrom" } "alpha" { "source-value" 100.228792619 "source-unit" "degree" } "beta" { "source-value" 100.200267496 "source-unit" "degree" } "gamma" { "source-value" 100.188703336 "source-unit" "degree" } }