{ "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" [ [ 0.900834 0.5 0.382542 ] [ 0.907597 0.5 0.881394 ] [ 0.723296 0.728698 0.123682 ] [ 0.723296 0.271302 0.123682 ] [ 0.72511 0.728745 0.622771 ] [ 0.72511 0.271255 0.622771 ] [ 0.276929 0.228315 0.37433 ] [ 0.276929 0.771685 0.37433 ] [ 0.275533 0.227681 0.878862 ] [ 0.275533 0.772319 0.878862 ] [ 0.097108 0 0.117447 ] [ 0.09757 0 0.616567 ] [ 0.340714 0.5 0.611243 ] [ 0.66743 0 0.395577 ] [ 0.668076 0 0.897165 ] [ 0.333097 0.5 0.102876 ] [ 0.585222 0.5 0.356822 ] [ 0.590131 0.5 0.864564 ] [ 0.415485 0 0.138988 ] [ 0.414871 0 0.638191 ] [ 0.960187 0 0.351398 ] [ 0.960517 0 0.851641 ] [ 0.040148 0.5 0.148989 ] [ 0.03099 0.5 0.649 ] [ 0.92347 0 0.475016 ] [ 0.893002 0.5 0.17963 ] [ 0.92446 0 0.97532 ] [ 0.843186 0 0.257003 ] [ 0.882961 0.5 0.678641 ] [ 0.842939 0 0.757591 ] [ 0.689598 0.686717 0.409405 ] [ 0.689598 0.313283 0.409405 ] [ 0.692494 0.687485 0.917301 ] [ 0.692494 0.312515 0.917301 ] [ 0.582231 0 0.08427 ] [ 0.564229 0.5 0.199627 ] [ 0.581656 0 0.583212 ] [ 0.573712 0.5 0.707966 ] [ 0.438812 0 0.295809 ] [ 0.417457 0.5 0.409398 ] [ 0.438924 0 0.795112 ] [ 0.418577 0.5 0.912204 ] [ 0.309809 0.813302 0.088068 ] [ 0.309809 0.186698 0.088068 ] [ 0.308462 0.184546 0.586938 ] [ 0.308462 0.815454 0.586938 ] [ 0.157349 0.5 0.243176 ] [ 0.107505 0 0.320465 ] [ 0.144347 0.5 0.746614 ] [ 0.07737 0.5 0.025458 ] [ 0.107715 0 0.82036 ] [ 0.067659 0.5 0.526006 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Ni" "Ni" "Ni" "P" "P" "P" "P" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.37387714 "source-unit" "angstrom" } "b" { "source-value" 6.46179125 "source-unit" "angstrom" } "c" { "source-value" 9.98027934 "source-unit" "angstrom" } "beta" { "source-value" 94.7515934 "source-unit" "degree" } }