{ "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" [ [ 0.022262 0.675974 0.333879 ] [ 0.975345 0.653247 0.084227 ] [ 0.025562 0.677422 0.833994 ] [ 0.972702 0.651488 0.58397 ] [ 0.015708 0.348517 0.208215 ] [ 0.987942 0.337124 0.458125 ] [ 0.009304 0.345558 0.708183 ] [ 0.988737 0.337575 0.958687 ] [ 0.667092 0.674014 0.440351 ] [ 0.667019 0.673216 0.941242 ] [ 0.321552 0.32144 0.067483 ] [ 0.320801 0.323613 0.566319 ] [ 0.334639 0.002745 0.692805 ] [ 0.683002 0.007433 0.315044 ] [ 0.686802 0.00526 0.816361 ] [ 0.332291 0.99588 0.193109 ] [ 0.655765 0.996652 0.063754 ] [ 0.655469 0.997636 0.56282 ] [ 0.666211 0.668626 0.189117 ] [ 0.662392 0.665271 0.688655 ] [ 0.33808 0.337101 0.312138 ] [ 0.342024 0.339053 0.813253 ] [ 0.339061 0.006255 0.436626 ] [ 0.339236 0.00644 0.937105 ] [ 0.681941 0.933669 0.20806 ] [ 0.684619 0.929421 0.71005 ] [ 0.675967 0.74574 0.04829 ] [ 0.388634 0.965996 0.084679 ] [ 0.676009 0.746976 0.547411 ] [ 0.388274 0.9668 0.584049 ] [ 0.394799 0.418676 0.175198 ] [ 0.089237 0.731717 0.429816 ] [ 0.385159 0.4222 0.673388 ] [ 0.089598 0.732065 0.930158 ] [ 0.922181 0.653778 0.182016 ] [ 0.911712 0.641147 0.680744 ] [ 0.085233 0.359034 0.305831 ] [ 0.089216 0.36069 0.806305 ] [ 0.901499 0.272266 0.056415 ] [ 0.603039 0.583192 0.330717 ] [ 0.900596 0.272914 0.55526 ] [ 0.607179 0.584482 0.832316 ] [ 0.614557 0.039139 0.420785 ] [ 0.615102 0.039276 0.921613 ] [ 0.318539 0.24899 0.458356 ] [ 0.318015 0.248846 0.958831 ] [ 0.322179 0.066485 0.298664 ] [ 0.327717 0.070162 0.799384 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.23662986 "source-unit" "angstrom" } "b" { "source-value" 5.24900577 "source-unit" "angstrom" } "c" { "source-value" 20.89175224 "source-unit" "angstrom" } "alpha" { "source-value" 91.5669893 "source-unit" "degree" } "beta" { "source-value" 89.53754274 "source-unit" "degree" } "gamma" { "source-value" 119.92169707 "source-unit" "degree" } }