{ "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" [ [ 0.404675 0.057106 0.11903 ] [ 0.076273 0.414129 0.841954 ] [ 0.582619 0.909237 0.845133 ] [ 0.600931 0.59159 0.87326 ] [ 0.903398 0.887669 0.12003 ] [ 0.160917 0.482613 0.621301 ] [ 0.342057 0.015504 0.370008 ] [ 0.657442 0.98143 0.622026 ] [ 0.84764 0.517209 0.367445 ] [ 0.093539 0.093203 0.873796 ] [ 0.3962 0.400512 0.120946 ] [ 0.350209 0.350779 0.364427 ] [ 0.101228 0.767726 0.871777 ] [ 0.856569 0.855375 0.374382 ] [ 0.599558 0.264469 0.871805 ] [ 0.152798 0.145208 0.625456 ] [ 0.402242 0.729489 0.122105 ] [ 0.653509 0.642519 0.62342 ] [ 0.887051 0.229475 0.12096 ] [ 0.863565 0.78374 0.904197 ] [ 0.528498 0.54021 0.660568 ] [ 0.754314 0.094589 0.106562 ] [ 0.429946 0.202279 0.344579 ] [ 0.141035 0.403452 0.42202 ] [ 0.188578 0.613173 0.820825 ] [ 0.739233 0.386526 0.869226 ] [ 0.972972 0.957495 0.334079 ] [ 0.302465 0.881619 0.170776 ] [ 0.36194 0.092251 0.5685 ] [ 0.080163 0.296278 0.648566 ] [ 0.616867 0.72115 0.072953 ] [ 0.371637 0.287796 0.919777 ] [ 0.635811 0.904952 0.425184 ] [ 0.679387 0.1072 0.824124 ] [ 0.027444 0.045216 0.665495 ] [ 0.280983 0.596019 0.121073 ] [ 0.782052 0.380352 0.167029 ] [ 0.861396 0.588662 0.565379 ] [ 0.578857 0.793714 0.646724 ] [ 0.946069 0.713093 0.367936 ] [ 0.255 0.901854 0.891789 ] [ 0.467795 0.454998 0.323934 ] [ 0.129841 0.225508 0.088039 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 5.30589381 "source-unit" "angstrom" } "b" { "source-value" 9.06074007 "source-unit" "angstrom" } "c" { "source-value" 11.34775797 "source-unit" "angstrom" } "alpha" { "source-value" 112.89130381 "source-unit" "degree" } "beta" { "source-value" 103.03624889 "source-unit" "degree" } "gamma" { "source-value" 89.53194455 "source-unit" "degree" } }