{ "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" [ [ 0.184737 0.189377 0.235234 ] [ 0.315263 0.689377 0.264766 ] [ 0.815263 0.810623 0.764766 ] [ 0.684737 0.310623 0.735234 ] [ 0.609589 0.41271 0.121044 ] [ 0.890411 0.91271 0.378956 ] [ 0.390411 0.58729 0.878956 ] [ 0.109589 0.08729 0.621044 ] [ 0.512543 0.67062 0.610886 ] [ 0.572133 0.815106 0.084629 ] [ 0.283326 0.466954 0.552001 ] [ 0.927867 0.315106 0.415371 ] [ 0.216674 0.966954 0.947999 ] [ 0.411762 0.915645 0.769232 ] [ 0.987457 0.17062 0.889114 ] [ 0.487457 0.32938 0.389114 ] [ 0.588238 0.084355 0.230768 ] [ 0.088238 0.415645 0.730768 ] [ 0.716674 0.533046 0.447999 ] [ 0.350479 0.905911 0.50905 ] [ 0.012543 0.82938 0.110886 ] [ 0.649521 0.094089 0.49095 ] [ 0.850479 0.594089 0.00905 ] [ 0.427867 0.184894 0.915371 ] [ 0.149521 0.405911 0.99095 ] [ 0.072133 0.684894 0.584629 ] [ 0.783326 0.033046 0.052001 ] [ 0.911762 0.584355 0.269232 ] [ 0.98883 0.422245 0.315322 ] [ 0.588184 0.476721 0.35457 ] [ 0.411816 0.523279 0.64543 ] [ 0.45983 0.778656 0.491547 ] [ 0.728232 0.03559 0.606398 ] [ 0.51117 0.922245 0.184678 ] [ 0.523936 0.776852 0.742125 ] [ 0.808273 0.373069 0.490063 ] [ 0.506818 0.653071 0.069278 ] [ 0.833034 0.104043 0.913829 ] [ 0.911816 0.976721 0.14543 ] [ 0.976064 0.276852 0.757875 ] [ 0.166966 0.895957 0.086171 ] [ 0.493182 0.346929 0.930722 ] [ 0.666966 0.604043 0.586171 ] [ 0.54017 0.221344 0.508453 ] [ 0.006818 0.846929 0.569278 ] [ 0.187153 0.344926 0.624544 ] [ 0.088184 0.023279 0.85457 ] [ 0.95983 0.721344 0.991547 ] [ 0.993182 0.153071 0.430722 ] [ 0.818003 0.53662 0.140975 ] [ 0.312847 0.844926 0.875456 ] [ 0.812847 0.655074 0.375456 ] [ 0.476064 0.223148 0.257875 ] [ 0.333034 0.395957 0.413829 ] [ 0.681997 0.03662 0.359025 ] [ 0.687153 0.155074 0.124544 ] [ 0.691727 0.873069 0.009937 ] [ 0.04017 0.278656 0.008453 ] [ 0.308273 0.126931 0.990063 ] [ 0.181997 0.46338 0.859025 ] [ 0.023936 0.723148 0.242125 ] [ 0.01117 0.577755 0.684678 ] [ 0.771768 0.53559 0.893602 ] [ 0.191727 0.626931 0.509937 ] [ 0.228232 0.46441 0.106398 ] [ 0.271768 0.96441 0.393602 ] [ 0.318003 0.96338 0.640975 ] [ 0.48883 0.077755 0.815322 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Mg" "Mg" "Mg" "Mg" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.89872086845 "source-unit" "angstrom" } "b" { "source-value" 7.6764054 "source-unit" "angstrom" } "c" { "source-value" 9.54274082631 "source-unit" "angstrom" } "beta" { "source-value" 92.1939505144 "source-unit" "degree" } }