{ "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" [ [ 0.881385 0.857809 0.986185 ] [ 0.618615 0.357809 0.013815 ] [ 0.118615 0.142191 0.013815 ] [ 0.381385 0.642191 0.986185 ] [ 0.443879 0.825266 0.64116 ] [ 0.056121 0.325266 0.35884 ] [ 0.556121 0.174734 0.35884 ] [ 0.943879 0.674734 0.64116 ] [ 0.430556 0.902618 0.21975 ] [ 0.069444 0.402618 0.78025 ] [ 0.569444 0.097382 0.78025 ] [ 0.930556 0.597382 0.21975 ] [ 0.314783 0.454143 0.887737 ] [ 0.185217 0.954143 0.112263 ] [ 0.685217 0.545857 0.112263 ] [ 0.814783 0.045857 0.887737 ] [ 0.057446 0.684149 0.087801 ] [ 0.442554 0.184149 0.912199 ] [ 0.942554 0.315851 0.912199 ] [ 0.557446 0.815851 0.087801 ] [ 0.395638 0.984074 0.717091 ] [ 0.104362 0.484074 0.282909 ] [ 0.604362 0.015926 0.282909 ] [ 0.895638 0.515926 0.717091 ] [ 0.745067 0.780245 0.731879 ] [ 0.754933 0.280245 0.268121 ] [ 0.254933 0.219755 0.268121 ] [ 0.245067 0.719755 0.731879 ] [ 0.382033 0.825413 0.393215 ] [ 0.117967 0.325413 0.606785 ] [ 0.617967 0.174587 0.606785 ] [ 0.882033 0.674587 0.393215 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "P" "P" "P" "P" "O" "O" "O" "O" "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" 5.51107394 "source-unit" "angstrom" } "b" { "source-value" 10.47154354 "source-unit" "angstrom" } "c" { "source-value" 7.18916423 "source-unit" "angstrom" } "beta" { "source-value" 98.52682403 "source-unit" "degree" } }