{ "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" [ [ 0.187657 0.918435 0.899737 ] [ 0.312068 0.050633 0.248029 ] [ 0.372751 0.753496 0.564846 ] [ 0.627249 0.246504 0.435154 ] [ 0.687932 0.949367 0.751971 ] [ 0.812343 0.081565 0.100263 ] [ 0.102363 0.571102 0.217824 ] [ 0.897637 0.428898 0.782176 ] [ 0.168823 0.183117 0.562903 ] [ 0.342811 0.341087 0.887802 ] [ 0.657189 0.658913 0.112198 ] [ 0.831177 0.816883 0.437097 ] [ 0.08342 0.789922 0.370436 ] [ 0.254675 0.50846 0.742683 ] [ 0.140283 0.227431 0.996602 ] [ 0.243281 0.29911 0.388642 ] [ 0.336931 0.028418 0.664543 ] [ 0.405401 0.714908 0.076834 ] [ 0.594599 0.285092 0.923166 ] [ 0.663069 0.971582 0.335457 ] [ 0.756719 0.70089 0.611358 ] [ 0.859717 0.772569 0.003398 ] [ 0.745325 0.49154 0.257317 ] [ 0.91658 0.210078 0.629564 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "B" "B" "B" "B" "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" 5.21575045 "source-unit" "angstrom" } "b" { "source-value" 6.05078569 "source-unit" "angstrom" } "c" { "source-value" 7.572209 "source-unit" "angstrom" } "alpha" { "source-value" 76.02969349 "source-unit" "degree" } "beta" { "source-value" 89.21948813 "source-unit" "degree" } "gamma" { "source-value" 87.8917281 "source-unit" "degree" } }