{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.136669 0.469314 0.872151 ] [ 0.136669 0.030686 0.372151 ] [ 0.35218 0.007905 0.669229 ] [ 0.64782 0.507905 0.830771 ] [ 0.35218 0.492095 0.169229 ] [ 0.64782 0.992095 0.330771 ] [ 0.863331 0.969314 0.627849 ] [ 0.863331 0.530686 0.127849 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.041084 0.654501 0.690202 ] [ 0.123665 0.179633 0.577069 ] [ 0.329076 0.225954 0.864403 ] [ 0.041084 0.845499 0.190202 ] [ 0.267681 0.790181 0.510792 ] [ 0.123665 0.320367 0.077069 ] [ 0.489989 0.793427 0.830319 ] [ 0.329076 0.274046 0.364403 ] [ 0.510011 0.293427 0.669681 ] [ 0.267681 0.709819 0.010792 ] [ 0.732319 0.290181 0.989208 ] [ 0.489989 0.706573 0.330319 ] [ 0.670924 0.725954 0.635597 ] [ 0.510011 0.206573 0.169681 ] [ 0.876335 0.679633 0.922931 ] [ 0.732319 0.209819 0.489208 ] [ 0.958916 0.154501 0.809798 ] [ 0.670924 0.774046 0.135597 ] [ 0.876335 0.820367 0.422931 ] [ 0.958916 0.345499 0.309798 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ag" "Ag" "Ag" "Ag" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.23162733 "source-unit" "angstrom" } "b" { "source-value" 5.22068067 "source-unit" "angstrom" } "c" { "source-value" 10.17110755 "source-unit" "angstrom" } "beta" { "source-value" 111.49344008 "source-unit" "degree" } }