{ "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" [ [ 0.124364 0.365361 0.147524 ] [ 0.919631 0.834646 0.678969 ] [ 0.428212 0.217677 0.141447 ] [ 0.76383 0.747179 0.603455 ] [ 0.23617 0.252821 0.396545 ] [ 0.875636 0.634639 0.852476 ] [ 0.617305 0.983446 0.681708 ] [ 0.283991 0.454781 0.218697 ] [ 0.080369 0.165354 0.321031 ] [ 0.571788 0.782323 0.858553 ] [ 0.382695 0.016554 0.318292 ] [ 0.716009 0.545219 0.781303 ] [ 0.704774 0.100034 0.384385 ] [ 0.27672 0.926563 0.101332 ] [ 0.747859 0.405489 0.093967 ] [ 0.252141 0.594511 0.906033 ] [ 0.775598 0.363922 0.584748 ] [ 0.72328 0.073437 0.898668 ] [ 0.295226 0.899966 0.615615 ] [ 0.224402 0.636078 0.415252 ] [ 0.131954 0.112792 0.843948 ] [ 0.868046 0.887208 0.156052 ] [ 0.303097 0.436415 0.671795 ] [ 0.696903 0.563585 0.328205 ] [ 0.055005 0.26885 0.831868 ] [ 0.944995 0.73115 0.168132 ] [ 0.29477 0.053003 0.83012 ] [ 0.70523 0.946997 0.16988 ] [ 0.140431 0.508826 0.684575 ] [ 0.366585 0.281871 0.674869 ] [ 0.633415 0.718129 0.325131 ] [ 0.859569 0.491174 0.315425 ] [ 0.871155 0.963594 0.829337 ] [ 0.128845 0.036406 0.170663 ] [ 0.582482 0.476438 0.165058 ] [ 0.134408 0.977246 0.687615 ] [ 0.219831 0.438624 0.915108 ] [ 0.646618 0.486615 0.004515 ] [ 0.751758 0.227193 0.840081 ] [ 0.083142 0.666292 0.974052 ] [ 0.595045 0.103652 0.826651 ] [ 0.248242 0.772807 0.159919 ] [ 0.668229 0.943971 0.401006 ] [ 0.740591 0.255398 0.365966 ] [ 0.853902 0.323429 0.1839 ] [ 0.417518 0.523562 0.834942 ] [ 0.852114 0.037422 0.968349 ] [ 0.717829 0.247584 0.10621 ] [ 0.372989 0.544742 0.338679 ] [ 0.259409 0.744602 0.634034 ] [ 0.210262 0.805426 0.353684 ] [ 0.187415 0.97799 0.528599 ] [ 0.592171 0.179276 0.297755 ] [ 0.09723 0.632976 0.355042 ] [ 0.926512 0.279558 0.509534 ] [ 0.353382 0.513385 0.995485 ] [ 0.812585 0.02201 0.471401 ] [ 0.305713 0.08364 0.045666 ] [ 0.694287 0.91636 0.954334 ] [ 0.073488 0.720442 0.490466 ] [ 0.780169 0.561376 0.084892 ] [ 0.572834 0.17932 0.965823 ] [ 0.916858 0.333708 0.025948 ] [ 0.627011 0.455258 0.661321 ] [ 0.407829 0.820724 0.702245 ] [ 0.404955 0.896348 0.173349 ] [ 0.644423 0.370379 0.526883 ] [ 0.45983 0.822479 0.545241 ] [ 0.331771 0.056029 0.598994 ] [ 0.427166 0.82068 0.034177 ] [ 0.865592 0.022754 0.312385 ] [ 0.282171 0.752416 0.89379 ] [ 0.147886 0.962578 0.031651 ] [ 0.90277 0.367024 0.644958 ] [ 0.762632 0.537142 0.523687 ] [ 0.54017 0.177521 0.454759 ] [ 0.355577 0.629621 0.473117 ] [ 0.237368 0.462858 0.476313 ] [ 0.789738 0.194574 0.646316 ] [ 0.146098 0.676571 0.8161 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "As" "As" "As" "As" "As" "As" "As" "As" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.0656532855 "source-unit" "angstrom" } "b" { "source-value" 10.5281393216 "source-unit" "angstrom" } "c" { "source-value" 16.2630936229 "source-unit" "angstrom" } "alpha" { "source-value" 75.1263650145 "source-unit" "degree" } "beta" { "source-value" 77.4107827614 "source-unit" "degree" } "gamma" { "source-value" 63.4271454083 "source-unit" "degree" } }