{ "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" [ [ 0.5 0 0.5 ] [ 1 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.26839 0.778317 0.015609 ] [ 0.20934 0.236535 0.464097 ] [ 0.253033 0.766547 0.536674 ] [ 0.761541 0.784566 0.022776 ] [ 0.238459 0.215434 0.977224 ] [ 0.746967 0.233453 0.463326 ] [ 0.79066 0.763465 0.535903 ] [ 0.73161 0.221683 0.984391 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "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" 5.80883038 "source-unit" "angstrom" } "b" { "source-value" 5.87825777 "source-unit" "angstrom" } "c" { "source-value" 5.88394316 "source-unit" "angstrom" } "alpha" { "source-value" 119.35134863 "source-unit" "degree" } "beta" { "source-value" 119.38528827 "source-unit" "degree" } "gamma" { "source-value" 89.60341807 "source-unit" "degree" } }