{ "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" [ [ 0.089474 0.75 0.518042 ] [ 0.910526 0.25 0.481958 ] [ 0.50367 0.75 0.093794 ] [ 0.49633 0.25 0.906206 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.6338 0.655238 0.625807 ] [ 0.3662 0.155238 0.374193 ] [ 0.3662 0.344762 0.374193 ] [ 0.6338 0.844762 0.625807 ] [ 0.56104 0.75 0.55198 ] [ 0.43896 0.25 0.44802 ] [ 0.20636 0.504933 0.263657 ] [ 0.79364 0.004933 0.736343 ] [ 0.79364 0.495067 0.736343 ] [ 0.20636 0.995067 0.263657 ] [ 0.23604 0.529397 0.831611 ] [ 0.76396 0.029397 0.168389 ] [ 0.76396 0.470603 0.168389 ] [ 0.23604 0.970603 0.831611 ] [ 0.955468 0.75 0.024552 ] [ 0.044532 0.25 0.975448 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Mn" "Mn" "H" "H" "H" "H" "O" "O" "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" 6.07010158 "source-unit" "angstrom" } "b" { "source-value" 8.37905713 "source-unit" "angstrom" } "c" { "source-value" 6.13544081 "source-unit" "angstrom" } "beta" { "source-value" 97.06626646 "source-unit" "degree" } }