./Stage_1/CHARGES ACF.dat output for 1002: Bi2WO6_1_001_sp
Status:
finished
# X Y Z CHARGE MIN DIST ATOMIC VOL
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1 5.518978 2.410576 7.011107 13.395609 0.849146 30.990516
2 2.579052 5.096762 7.011660 13.429468 0.848867 29.819526
3 10.669286 3.482798 1.025449 13.405194 0.903754 31.458289
4 2.826286 0.796914 1.025112 13.468590 0.893367 31.930512
5 0.120464 2.410512 7.011059 13.389647 0.849086 30.954910
6 7.977565 5.096773 7.011564 13.422873 0.848889 29.811959
7 5.270621 3.482745 1.025449 13.403394 0.903711 31.459179
8 8.224929 0.796935 1.025016 13.465520 0.893358 31.933628
9 5.518978 7.783076 7.011107 13.395609 0.849146 30.990516
10 2.579052 10.469262 7.011660 13.429468 0.848867 29.819526
11 10.669286 8.855298 1.025449 13.405194 0.903754 31.458289
12 2.826286 6.169414 1.025112 13.468590 0.893367 31.930512
13 0.120464 7.783012 7.011059 13.389647 0.849086 30.954910
14 7.977565 10.469273 7.011564 13.422873 0.848889 29.811959
15 5.270621 8.855245 1.025449 13.403394 0.903711 31.459179
16 8.224929 6.169435 1.025016 13.465520 0.893358 31.933628
17 2.847492 2.897894 4.039741 11.013744 0.724917 9.388395
18 5.250236 0.212031 4.040246 10.982664 0.752977 9.230394
19 8.246200 2.897959 4.039548 11.013673 0.724999 9.382609
20 10.648771 0.212192 4.039981 10.986840 0.752699 9.240630
21 2.847492 8.270394 4.039741 11.013744 0.724917 9.388395
22 5.250236 5.584531 4.040246 10.982664 0.752977 9.230394
23 8.246200 8.270459 4.039548 11.013673 0.724999 9.382609
24 10.648771 5.584692 4.039981 10.986840 0.752699 9.240630
25 0.954408 5.169645 2.692086 6.979604 0.682979 12.799889
26 1.743068 2.483664 2.692254 7.037158 0.708204 13.411866
27 3.792193 0.855603 3.088858 7.149744 0.755237 12.975248
28 4.306463 3.540800 3.089363 7.115935 0.745508 12.842171
29 0.610517 1.628437 4.927823 7.116719 0.696223 13.409640
30 2.089787 4.314085 4.927799 7.093914 0.699467 13.351781
31 4.810336 4.484877 5.411313 7.162319 0.644517 13.968653
32 3.289345 1.799089 5.411000 7.128943 0.679939 13.418097
33 0.707238 0.479893 7.614663 6.790818 0.484281 111.252525
34 1.992278 3.165928 7.614687 6.894622 0.462549 110.114915
35 3.348881 4.209472 0.481228 6.835898 0.470143 110.924060
36 4.747648 1.522319 0.480939 6.945442 0.425102 108.701804
37 6.353062 5.169559 2.691869 6.979916 0.683084 12.786091
38 7.141614 2.483728 2.692254 7.037528 0.708223 13.432784
39 9.190760 0.855721 3.088714 7.149498 0.755392 12.975693
40 9.705063 3.540950 3.089291 7.111369 0.745630 12.835940
41 6.009182 1.628373 4.927871 7.116010 0.696199 13.409640
42 7.488376 4.314182 4.927703 7.096965 0.699520 13.360237
43 10.208785 4.484877 5.411313 7.162087 0.644582 13.978890
44 8.688053 1.799132 5.410880 7.134784 0.679878 13.456818
45 6.105881 0.479904 7.614759 6.792740 0.484344 111.450583
46 7.390932 3.165961 7.614567 6.892159 0.462478 110.021004
47 8.747535 4.209504 0.481132 6.839023 0.470211 110.973463
48 10.146258 1.522341 0.480867 6.945828 0.425150 108.673765
49 0.954408 10.542145 2.692086 6.979604 0.682979 12.799889
50 1.743068 7.856164 2.692254 7.037158 0.708204 13.411866
51 3.792193 6.228103 3.088858 7.149744 0.755237 12.975248
52 4.306463 8.913300 3.089363 7.115935 0.745508 12.842171
53 0.610517 7.000937 4.927823 7.116719 0.696223 13.409640
54 2.089787 9.686585 4.927799 7.093914 0.699467 13.351781
55 4.810336 9.857377 5.411313 7.162319 0.644517 13.968653
56 3.289345 7.171589 5.411000 7.128943 0.679939 13.418097
57 0.707238 5.852393 7.614663 6.790818 0.484281 111.252525
58 1.992278 8.538428 7.614687 6.894622 0.462549 110.114915
59 3.348881 9.581972 0.481228 6.835898 0.470143 110.924060
60 4.747648 6.894819 0.480939 6.945442 0.425102 108.701804
61 6.353062 10.542059 2.691869 6.979916 0.683084 12.786091
62 7.141614 7.856228 2.692254 7.037528 0.708223 13.432784
63 9.190760 6.228221 3.088714 7.149498 0.755392 12.975693
64 9.705063 8.913450 3.089291 7.111369 0.745630 12.835940
65 6.009182 7.000873 4.927871 7.116010 0.696199 13.409640
66 7.488376 9.686682 4.927703 7.096965 0.699520 13.360237
67 10.208785 9.857377 5.411313 7.162087 0.644582 13.978890
68 8.688053 7.171632 5.410880 7.134784 0.679878 13.456818
69 6.105881 5.852404 7.614759 6.792740 0.484344 111.450583
70 7.390932 8.538461 7.614567 6.892159 0.462478 110.021004
71 8.747535 9.582004 0.481132 6.839023 0.470211 110.973463
72 10.146258 6.894841 0.480867 6.945828 0.425150 108.673765
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VACUUM CHARGE: 0.2275
VACUUM VOLUME: 31.2531
NUMBER OF ELECTRONS: 640.0000