{ "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" [ [ 0.75467 0.25 0.900787 ] [ 0.24533 0.75 0.099213 ] [ 0.795985 0.75 0.684299 ] [ 0.204015 0.25 0.315701 ] [ 0.750644 0.25 0.575981 ] [ 0.249356 0.75 0.424019 ] [ 0.686305 0.75 0.965346 ] [ 0.313695 0.25 0.034654 ] [ 0.929838 0.75 0.92928 ] [ 0.375428 0.25 0.895043 ] [ 0.520129 0.75 0.829809 ] [ 0.800843 0.060976 0.691569 ] [ 0.800843 0.439024 0.691569 ] [ 0.080761 0.75 0.562235 ] [ 0.464991 0.25 0.496352 ] [ 0.535009 0.75 0.503648 ] [ 0.919239 0.25 0.437765 ] [ 0.199157 0.939024 0.308431 ] [ 0.199157 0.560976 0.308431 ] [ 0.479871 0.25 0.170191 ] [ 0.624572 0.75 0.104957 ] [ 0.070162 0.25 0.07072 ] ] } "species" { "source-value" [ "Li" "Li" "Ti" "Ti" "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" 5.24368802 "source-unit" "angstrom" } "b" { "source-value" 6.44769535 "source-unit" "angstrom" } "c" { "source-value" 8.2428733 "source-unit" "angstrom" } "beta" { "source-value" 97.87510631 "source-unit" "degree" } }