# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 1.905714 1.905714 4.785514 9.788935 0.897284 7.490686 2 1.905714 0.000000 7.178272 9.788001 0.897284 7.486824 3 0.000000 0.000000 0.000000 9.786140 0.897284 7.433719 4 0.000000 1.905714 2.392757 9.788711 0.897284 7.486341 5 5.717143 1.905714 4.785514 9.789165 0.897284 7.492376 6 5.717143 0.000000 7.178272 9.788063 0.897284 7.487548 7 3.811429 0.000000 0.000000 9.786727 0.897284 7.489479 8 3.811429 1.905714 2.392757 9.788914 0.897284 7.489479 9 1.905714 5.717143 4.785514 9.789317 0.897284 7.489962 10 1.905714 3.811429 7.178272 9.788339 0.897284 7.488513 11 0.000000 3.811429 0.000000 9.786559 0.897284 7.487548 12 0.000000 5.717143 2.392757 9.788246 0.897284 7.488996 13 5.717143 5.717143 4.785514 9.789060 0.897284 7.493582 14 5.717143 3.811429 7.178272 9.789051 0.897284 7.486341 15 3.811429 3.811429 0.000000 9.788323 0.897284 7.488272 16 3.811429 5.717143 2.392757 9.789114 0.897284 7.489479 17 0.000000 1.905714 4.387896 7.107030 0.892228 13.749580 18 1.905714 1.905714 6.780653 7.107091 0.892228 13.749821 19 1.905714 0.000000 5.183133 7.107086 0.892228 13.744028 20 0.000000 0.000000 7.575891 7.106458 0.892228 13.631783 21 1.905714 0.000000 9.173410 7.109901 0.892228 13.658819 22 0.000000 0.000000 1.995138 7.105947 0.892228 13.635646 23 0.000000 1.905714 0.397619 7.110209 0.892228 13.667267 24 1.905714 1.905714 2.790376 7.107900 0.892228 13.749580 25 3.811429 1.905714 4.387896 7.105162 0.892228 13.729786 26 5.717143 1.905714 6.780653 7.104629 0.892228 13.534022 27 5.717143 0.000000 5.183133 7.101452 0.892228 13.504814 28 3.811429 0.000000 7.575891 7.103098 0.892228 13.616093 29 5.717143 0.000000 9.173410 7.109609 0.892228 13.657612 30 3.811429 0.000000 1.995138 7.103497 0.892228 13.625749 31 3.811429 1.905714 0.397619 7.105538 0.892228 13.640473 32 5.717143 1.905714 2.790376 7.107404 0.892228 13.748373 33 0.000000 5.717143 4.387896 7.104104 0.892228 13.530884 34 1.905714 5.717143 6.780653 7.108945 0.892228 13.764787 35 1.905714 3.811429 5.183133 7.105922 0.892228 13.726648 36 0.000000 3.811429 7.575891 7.106358 0.892228 13.643611 37 1.905714 3.811429 9.173410 7.103630 0.892228 13.617542 38 0.000000 3.811429 1.995138 7.103624 0.892228 13.614645 39 0.000000 5.717143 0.397619 7.109705 0.892228 13.666302 40 1.905714 5.717143 2.790376 7.101183 0.892228 13.503607 41 3.811429 5.717143 4.387896 7.104246 0.892228 13.533298 42 5.717143 5.717143 6.780653 7.104474 0.892228 13.533539 43 5.717143 3.811429 5.183133 7.102164 0.892228 13.507952 44 3.811429 3.811429 7.575891 7.106706 0.892228 13.645060 45 5.717143 3.811429 9.173410 7.104110 0.892228 13.618749 46 3.811429 3.811429 1.995138 7.103604 0.892228 13.615128 47 3.811429 5.717143 0.397619 7.106331 0.892228 13.648198 48 5.717143 5.717143 2.790376 7.100914 0.892228 13.501676 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0093 VACUUM VOLUME: 0.0688 NUMBER OF ELECTRONS: 384.0000