Mg1 W47 S96 1.0 19.144551 0.000000 0.000000 0.000000 22.106223 0.000000 0.000000 0.000000 14.200541 Mg W S 1 47 96 direct -0.000002 0.750030 0.500000 Mg 0.086939 0.876866 0.500000 W 0.000001 0.497346 0.500000 W 0.083257 0.621246 0.500000 W 0.170146 0.751925 0.500000 W 0.252248 0.876361 0.500000 W 0.000002 0.249117 0.500000 W 0.083485 0.373549 0.500000 W 0.167153 0.498197 0.500000 W 0.249724 0.625103 0.500000 W 0.334866 0.750565 0.500000 W 0.417354 0.875800 0.500000 W -0.000001 -0.000311 0.499999 W 0.083509 0.124677 0.500000 W 0.166928 0.249396 0.500001 W 0.250325 0.374233 0.500000 W 0.333323 0.499891 0.500000 W 0.416661 0.625164 0.500000 W 0.500002 0.750437 0.500000 W 0.582641 0.875803 0.500000 W 0.168096 0.001159 0.500000 W 0.250656 0.125412 0.500001 W 0.333677 0.250030 0.500000 W 0.416758 0.375062 0.500000 W 0.500004 0.500092 0.500000 W 0.583340 0.625167 0.500000 W 0.665132 0.750570 0.500000 W 0.747749 0.876365 0.500000 W 0.334292 0.000910 0.500000 W 0.416976 0.125570 0.500000 W 0.500001 0.250329 0.500000 W 0.583245 0.375062 0.500000 W 0.666682 0.499892 0.500000 W 0.750279 0.625105 0.500000 W 0.829848 0.751925 0.500000 W 0.913058 0.876869 0.500000 W 0.500000 0.000799 0.500000 W 0.583018 0.125573 0.500000 W 0.666321 0.250031 0.500000 W 0.749679 0.374234 0.500000 W 0.832854 0.498199 0.500000 W 0.916742 0.621246 0.500000 W 0.665704 0.000908 0.500000 W 0.749346 0.125414 0.500000 W 0.833071 0.249401 0.500000 W 0.916516 0.373548 0.500000 W 0.831900 0.001162 0.500000 W 0.916489 0.124676 0.500000 W 0.089661 0.794945 0.389330 S 0.169283 0.918605 0.388948 S 0.083865 0.538538 0.389047 S 0.165686 0.667155 0.390603 S 0.252982 0.792868 0.388968 S 0.334748 0.917786 0.388856 S 0.083446 0.290561 0.389135 S 0.166963 0.415243 0.389121 S 0.249930 0.541518 0.389426 S 0.333288 0.666804 0.389384 S 0.417436 0.792308 0.389005 S 0.499998 0.917539 0.388975 S 0.083482 0.041481 0.389317 S 0.166871 0.166324 0.389187 S 0.250254 0.291155 0.389148 S 0.333395 0.416550 0.389290 S 0.416625 0.541756 0.389372 S 0.500000 0.666841 0.389329 S 0.582564 0.792310 0.389005 S 0.665248 0.917790 0.388854 S 0.251047 0.042507 0.388989 S 0.333756 0.167007 0.389057 S 0.416791 0.291881 0.389152 S 0.500002 0.416815 0.389249 S 0.583381 0.541756 0.389372 S 0.666713 0.666806 0.389381 S 0.747014 0.792873 0.388966 S 0.830712 0.918608 0.388946 S 0.417127 0.042488 0.388966 S 0.500000 0.167219 0.389060 S 0.583209 0.291881 0.389152 S 0.666609 0.416551 0.389288 S 0.750076 0.541522 0.389425 S 0.834317 0.667158 0.390605 S 0.910339 0.794945 0.389330 S -0.000002 0.915743 0.390518 S 0.582868 0.042488 0.388966 S 0.666241 0.167010 0.389056 S 0.749750 0.291158 0.389150 S 0.833041 0.415246 0.389121 S 0.916138 0.538539 0.389045 S 0.000000 0.660130 0.389426 S 0.748950 0.042509 0.388989 S 0.833127 0.166324 0.389188 S 0.916555 0.290562 0.389135 S 0.000002 0.414653 0.388961 S 0.916515 0.041483 0.389317 S 0.000001 0.166019 0.389229 S 0.089661 0.794945 0.610670 S 0.169283 0.918605 0.611052 S 0.083865 0.538538 0.610954 S 0.165686 0.667155 0.609398 S 0.252982 0.792868 0.611031 S 0.334748 0.917786 0.611143 S 0.083446 0.290561 0.610864 S 0.166963 0.415243 0.610879 S 0.249930 0.541518 0.610574 S 0.333288 0.666804 0.610616 S 0.417436 0.792308 0.610995 S 0.499998 0.917539 0.611025 S 0.083482 0.041481 0.610682 S 0.166871 0.166324 0.610812 S 0.250254 0.291155 0.610852 S 0.333395 0.416550 0.610710 S 0.416625 0.541756 0.610628 S 0.500000 0.666841 0.610671 S 0.582564 0.792310 0.610995 S 0.665248 0.917790 0.611146 S 0.251047 0.042507 0.611010 S 0.333756 0.167007 0.610943 S 0.416791 0.291881 0.610848 S 0.500002 0.416815 0.610751 S 0.583381 0.541757 0.610628 S 0.666713 0.666806 0.610619 S 0.747014 0.792873 0.611034 S 0.830712 0.918608 0.611054 S 0.417127 0.042488 0.611033 S 0.500000 0.167219 0.610940 S 0.583209 0.291881 0.610847 S 0.666609 0.416551 0.610712 S 0.750076 0.541522 0.610575 S 0.834317 0.667158 0.609395 S 0.910339 0.794945 0.610670 S -0.000002 0.915743 0.609482 S 0.582868 0.042488 0.611033 S 0.666241 0.167010 0.610944 S 0.749750 0.291158 0.610850 S 0.833041 0.415246 0.610879 S 0.916138 0.538539 0.610955 S 0.000000 0.660130 0.610574 S 0.748950 0.042509 0.611010 S 0.833127 0.166324 0.610811 S 0.916555 0.290562 0.610865 S 0.000002 0.414653 0.611039 S 0.916515 0.041483 0.610682 S 0.000001 0.166019 0.610771 S