{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.103177 0.769456 0.18117 ] [ 0.603177 0.730544 0.68117 ] [ 0.896823 0.230544 0.81883 ] [ 0.396823 0.269456 0.31883 ] [ 0.603177 0.269456 0.18117 ] [ 0.103177 0.230544 0.68117 ] [ 0.396823 0.730544 0.81883 ] [ 0.896823 0.769456 0.31883 ] [ 0.88378 0.72595 0.619086 ] [ 0.11622 0.72595 0.880914 ] [ 0.11622 0.27405 0.380914 ] [ 0.88378 0.27405 0.119086 ] [ 0.38378 0.22595 0.619086 ] [ 0.61622 0.22595 0.880914 ] [ 0.61622 0.77405 0.380914 ] [ 0.38378 0.77405 0.119086 ] [ 0 0.549655 0.75 ] [ 0.922613 0.022867 0.117802 ] [ 0.077387 0.022867 0.382198 ] [ 0.077387 0.977133 0.882198 ] [ 0.363231 0.796189 0.24881 ] [ 0 0.450345 0.25 ] [ 0.136769 0.296189 0.25119 ] [ 0.636769 0.203811 0.75119 ] [ 0.863231 0.703811 0.74881 ] [ 0.769943 0.371614 0.882404 ] [ 0.269943 0.128386 0.382404 ] [ 0.230057 0.628386 0.117596 ] [ 0.730057 0.871614 0.617596 ] [ 0.922613 0.977133 0.617802 ] [ 0.5 0.049655 0.75 ] [ 0.422613 0.522867 0.117802 ] [ 0.577387 0.522867 0.382198 ] [ 0.577387 0.477133 0.882198 ] [ 0.863231 0.296189 0.24881 ] [ 0.5 0.950345 0.25 ] [ 0.636769 0.796189 0.25119 ] [ 0.136769 0.703811 0.75119 ] [ 0.363231 0.203811 0.74881 ] [ 0.269943 0.871614 0.882404 ] [ 0.769943 0.628386 0.382404 ] [ 0.730057 0.128386 0.117596 ] [ 0.230057 0.371614 0.617596 ] [ 0.422613 0.477133 0.617802 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "B" "B" "B" "B" "B" "B" "B" "B" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 20.1346993827 "source-unit" "angstrom" } "b" { "source-value" 6.98261101695 "source-unit" "angstrom" } "c" { "source-value" 12.0782719058 "source-unit" "angstrom" } "beta" { "source-value" 141.354097266 "source-unit" "degree" } }