{ "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" [ [ 0.012873 0.605269 0.410362 ] [ 0.49492 0.210848 0.890239 ] [ 0.50508 0.710848 0.109761 ] [ 0.987127 0.105269 0.589638 ] [ 0.030894 0.158297 0.944918 ] [ 0.477891 0.545531 0.402205 ] [ 0.522109 0.045531 0.597795 ] [ 0.969106 0.658297 0.055082 ] [ 0.006733 0.737866 0.590358 ] [ 0.018837 0.505749 0.167807 ] [ 0.147389 0.252407 0.760851 ] [ 0.248894 0.470244 0.517299 ] [ 0.270431 0.192143 0.092566 ] [ 0.259575 0.006278 0.477474 ] [ 0.223777 0.695368 0.937307 ] [ 0.346657 0.710597 0.359827 ] [ 0.478147 0.006886 0.817129 ] [ 0.461873 0.901016 0.13504 ] [ 0.538127 0.401016 0.86496 ] [ 0.521853 0.506886 0.182871 ] [ 0.653343 0.210597 0.640173 ] [ 0.776223 0.195368 0.062693 ] [ 0.740425 0.506278 0.522526 ] [ 0.729569 0.692143 0.907434 ] [ 0.751106 0.970244 0.482701 ] [ 0.852611 0.752407 0.239149 ] [ 0.981163 0.005749 0.832193 ] [ 0.993267 0.237866 0.409642 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Mg" "Mg" "Mg" "Mg" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.81197094 "source-unit" "angstrom" } "b" { "source-value" 15.40372404 "source-unit" "angstrom" } "c" { "source-value" 11.94243389 "source-unit" "angstrom" } "beta" { "source-value" 92.10419125 "source-unit" "degree" } }