{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.563664 0.160355 0.262136 ] [ 0.436336 0.660355 0.737864 ] [ 0.066129 0.344201 0.749895 ] [ 0.043919 0.573981 0.980783 ] [ 0.956081 0.073981 0.019217 ] [ 0.933871 0.844201 0.250105 ] [ 0.081935 0.341348 0.266501 ] [ 0.918065 0.841348 0.733499 ] [ 0.560473 0.163756 0.749465 ] [ 0.439527 0.663756 0.250535 ] [ 0.940858 0.588282 0.503602 ] [ 0.059142 0.088282 0.496398 ] [ 0.429996 0.906359 0.990098 ] [ 0.570004 0.406359 0.009902 ] [ 0.068467 0.657662 0.294642 ] [ 0.949803 0.15685 0.28974 ] [ 0.377513 0.114112 0.517236 ] [ 0.993439 0.940069 0.490969 ] [ 0.622487 0.614112 0.482764 ] [ 0.006561 0.440069 0.509031 ] [ 0.050197 0.65685 0.71026 ] [ 0.931533 0.157662 0.705358 ] [ 0.538793 0.83179 0.794122 ] [ 0.451829 0.329889 0.808719 ] [ 0.455787 0.555522 0.010636 ] [ 0.889471 0.40902 0.000731 ] [ 0.544213 0.055522 0.989364 ] [ 0.110529 0.90902 0.999269 ] [ 0.548171 0.829889 0.191281 ] [ 0.461207 0.33179 0.205878 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "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" 5.13260505 "source-unit" "angstrom" } "b" { "source-value" 10.63019139 "source-unit" "angstrom" } "c" { "source-value" 6.59877045 "source-unit" "angstrom" } "beta" { "source-value" 90.5283371 "source-unit" "degree" } }