{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.732799 0.978076 0.279387 ] [ 0.267201 0.021924 0.720613 ] [ 0.795879 0.25 0.89487 ] [ 0.204121 0.75 0.10513 ] [ 0.267201 0.478076 0.720613 ] [ 0.732799 0.521924 0.279387 ] [ 0.79149 0.75 0.674302 ] [ 0.20851 0.25 0.325698 ] [ 0.731319 0.25 0.590031 ] [ 0.268681 0.75 0.409969 ] [ 0.671301 0.75 0.963764 ] [ 0.328699 0.25 0.036236 ] [ 0.513238 0.25 0.157986 ] [ 0.919988 0.75 0.933874 ] [ 0.167923 0.75 0.573981 ] [ 0.486762 0.75 0.842014 ] [ 0.161989 0.56722 0.305816 ] [ 0.832077 0.25 0.426019 ] [ 0.161989 0.93278 0.305816 ] [ 0.838011 0.43278 0.694184 ] [ 0.838011 0.06722 0.694184 ] [ 0.416817 0.25 0.567499 ] [ 0.606707 0.75 0.106317 ] [ 0.393293 0.25 0.893683 ] [ 0.583183 0.75 0.432501 ] [ 0.080012 0.25 0.066126 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "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" 5.00399055349 "source-unit" "angstrom" } "b" { "source-value" 6.60990252 "source-unit" "angstrom" } "c" { "source-value" 8.53227895911 "source-unit" "angstrom" } "beta" { "source-value" 96.5616328207 "source-unit" "degree" } }