{ "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" [ [ 0.707746 0.5 0.009887 ] [ 0.660711 0.5 0.641158 ] [ 0.63515 0.5 0.349612 ] [ 0.206912 0.5 0.508068 ] [ 0.157708 0.5 0.143277 ] [ 0.132831 0.5 0.849214 ] [ 0.808429 0 0.820126 ] [ 0.365689 0 0.99453 ] [ 0.325934 0 0.685383 ] [ 0.307986 0 0.320046 ] [ 0.862353 0 0.495659 ] [ 0.824306 0 0.183809 ] [ 0.997338 0.5 0.333762 ] [ 0.000731 0 0.0012 ] [ 0.99904 0.5 0.665481 ] [ 0.50004 0.5 0.833296 ] [ 0.501298 0 0.499109 ] [ 0.502072 0.5 0.166666 ] [ 0.987661 0.5 0.568541 ] [ 0.980221 0.5 0.236823 ] [ 0.862119 0.5 0.391479 ] [ 0.859853 0.5 0.719855 ] [ 0.847175 0 0.041762 ] [ 0.652232 0.5 0.875059 ] [ 0.65312 0.5 0.209521 ] [ 0.638998 0 0.555819 ] [ 0.518476 0 0.402457 ] [ 0.490799 0.5 0.069775 ] [ 0.486445 0.5 0.736179 ] [ 0.361561 0.5 0.888395 ] [ 0.362064 0.5 0.220194 ] [ 0.347807 0 0.539244 ] [ 0.151495 0.5 0.373637 ] [ 0.149555 0.5 0.708694 ] [ 0.137033 0 0.058143 ] [ 0.017111 0 0.90414 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "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" 8.27475791 "source-unit" "angstrom" } "b" { "source-value" 3.1714083 "source-unit" "angstrom" } "c" { "source-value" 14.30438165 "source-unit" "angstrom" } "beta" { "source-value" 90.0360535 "source-unit" "degree" } }