{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.76153 0.5 0.904237 ] [ 0.245974 0.27091 0.725089 ] [ 0.245974 0.72909 0.725089 ] [ 0.755518 0.773863 0.276277 ] [ 0.755518 0.226137 0.276277 ] [ 0.236018 0 0.096462 ] [ 0.219425 0.5 0.338088 ] [ 0.792627 0 0.667235 ] [ 0.719803 0.5 0.588398 ] [ 0.278728 0 0.41432 ] [ 0.704269 0 0.960883 ] [ 0.294962 0.5 0.034138 ] [ 0.952636 0 0.924159 ] [ 0.356819 0.5 0.887326 ] [ 0.514235 0 0.844591 ] [ 0.825485 0.313277 0.690751 ] [ 0.825485 0.686723 0.690751 ] [ 0.169536 0 0.581383 ] [ 0.403521 0.5 0.571106 ] [ 0.594278 0 0.437152 ] [ 0.819214 0.5 0.418605 ] [ 0.175799 0.185207 0.309621 ] [ 0.175799 0.814793 0.309621 ] [ 0.487181 0.5 0.149269 ] [ 0.642211 0 0.107903 ] [ 0.047457 0.5 0.07127 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Ni" "P" "P" "C" "C" "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" 4.96889569 "source-unit" "angstrom" } "b" { "source-value" 6.5022407 "source-unit" "angstrom" } "c" { "source-value" 8.41186496 "source-unit" "angstrom" } "beta" { "source-value" 94.58510503 "source-unit" "degree" } }