{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.084257 0.254015 0.210276 ] [ 0.167924 0.5 0.902073 ] [ 0.000022 0 0.995664 ] [ 0.99457 0 0.487622 ] [ 0.084257 0.745985 0.210276 ] [ 0.165281 0 0.708809 ] [ 0.835611 0.5 0.402791 ] [ 0.584257 0.754015 0.210276 ] [ 0.667924 0 0.902073 ] [ 0.500022 0.5 0.995664 ] [ 0.49457 0.5 0.487622 ] [ 0.584257 0.245985 0.210276 ] [ 0.665281 0.5 0.708809 ] [ 0.335611 0 0.402791 ] [ 0.820508 0 0.236467 ] [ 0.90516 0.25201 0.719687 ] [ 0.90516 0.74799 0.719687 ] [ 0.320508 0.5 0.236467 ] [ 0.40516 0.75201 0.719687 ] [ 0.40516 0.24799 0.719687 ] [ 0.147531 0.5 0.48802 ] [ 0.83478 0.5 0.995627 ] [ 0.647531 0 0.48802 ] [ 0.33478 0 0.995627 ] [ 0.08105 0.25526 0.58967 ] [ 0.018506 0.5 0.355455 ] [ 0.200317 0.5 0.1131 ] [ 0.980077 0 0.29364 ] [ 0.992143 0 0.798871 ] [ 0.08105 0.74474 0.58967 ] [ 0.249189 0.287997 0.355377 ] [ 0.249189 0.712003 0.355377 ] [ 0.174255 0 0.074983 ] [ 0.826531 0 0.601468 ] [ 0.769846 0.271926 0.840528 ] [ 0.769846 0.728074 0.840528 ] [ 0.852808 0.5 0.609614 ] [ 0.91531 0.260233 0.085949 ] [ 0.980378 0.5 0.840689 ] [ 0.91531 0.739767 0.085949 ] [ 0.58105 0.75526 0.58967 ] [ 0.518506 0 0.355455 ] [ 0.700317 0 0.1131 ] [ 0.480077 0.5 0.29364 ] [ 0.492143 0.5 0.798871 ] [ 0.58105 0.24474 0.58967 ] [ 0.749189 0.787997 0.355377 ] [ 0.749189 0.212003 0.355377 ] [ 0.674255 0.5 0.074983 ] [ 0.326531 0.5 0.601468 ] [ 0.269846 0.771926 0.840528 ] [ 0.269846 0.228074 0.840528 ] [ 0.352808 0 0.609614 ] [ 0.41531 0.760233 0.085949 ] [ 0.480378 0 0.840689 ] [ 0.41531 0.239767 0.085949 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.25394749 "source-unit" "angstrom" } "b" { "source-value" 5.88656389 "source-unit" "angstrom" } "c" { "source-value" 9.68773538 "source-unit" "angstrom" } "beta" { "source-value" 90.29696637 "source-unit" "degree" } }