{ "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" [ [ 0.756016 0.212856 0.136711 ] [ 0.243984 0.787144 0.863289 ] [ 0.891905 0.722598 0.349264 ] [ 0.108095 0.277402 0.650736 ] [ 0.214078 0.24413 0.158846 ] [ 0.35943 0.82258 0.386916 ] [ 0.64057 0.17742 0.613084 ] [ 0.785922 0.75587 0.841154 ] [ 0.327441 0.516695 0.177057 ] [ 0.672559 0.483305 0.822943 ] [ 0.382246 0.369118 0.093637 ] [ 0.89452 0.798064 0.015935 ] [ 0.379697 0.018698 0.231709 ] [ 0.220951 0.719871 0.282228 ] [ 0.046597 0.360524 0.337968 ] [ 0.597007 0.672946 0.383766 ] [ 0.758151 0.074147 0.406991 ] [ 0.241849 0.925853 0.593009 ] [ 0.402993 0.327054 0.616234 ] [ 0.953403 0.639476 0.662032 ] [ 0.779049 0.280129 0.717772 ] [ 0.620303 0.981302 0.768291 ] [ 0.10548 0.201936 0.984065 ] [ 0.617754 0.630882 0.906363 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "P" "P" "P" "P" "H" "H" "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" 6.49397855 "source-unit" "angstrom" } "b" { "source-value" 6.598223 "source-unit" "angstrom" } "c" { "source-value" 6.61441315 "source-unit" "angstrom" } "alpha" { "source-value" 87.0856568 "source-unit" "degree" } "beta" { "source-value" 81.80906617 "source-unit" "degree" } "gamma" { "source-value" 69.34745971 "source-unit" "degree" } }