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conf.triclinic.dump
391 lines (391 loc) · 24.2 KB
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conf.triclinic.dump
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ITEM: TIMESTEP
0
ITEM: NUMBER OF ATOMS
384
ITEM: BOX BOUNDS xy xz yz pp pp pp
-1.0286203702253184e+01 2.1814954520361155e+01 -2.0343680917961624e+00
-8.9742306048860261e+00 2.1706634957886848e+01 -8.0117654430960545e+00
-1.8405460455864997e-01 1.4435954548558893e+01 -8.7531428779991050e+00
ITEM: ATOMS id type mass x y z vx vy vz
1 1 47.867 -2.23 21.2616 -0.146415 -2.11531 -5.71231 2.05243
2 1 47.867 1.53686 1.1392 1.87754 3.83265 2.04006 -0.490642
3 1 47.867 3.7868 1.74697 0.0809087 1.20065 2.19467 8.54114
4 1 47.867 2.48929 4.26826 1.09255 -1.71617 4.54274 0.823982
5 1 47.867 2.69358 3.21103 3.54466 1.82772 0.96434 3.36237
6 1 47.867 5.11372 3.41683 2.09678 -4.15272 3.86994 -3.79224
7 1 47.867 3.89317 6.20949 2.82854 7.11289 3.55834 4.27466
8 1 47.867 4.10793 4.90442 5.34011 4.15065 -0.644622 -0.287528
9 1 47.867 6.57487 4.73168 3.97072 0.235305 -2.46977 0.0897989
10 1 47.867 4.95084 7.9234 4.72743 -4.12391 4.15361 2.48295
11 1 47.867 5.99296 6.66596 7.46826 7.76861 -1.74696 8.07021
12 1 47.867 8.10301 6.75917 5.68201 6.2881 2.42497 -5.63146
13 1 47.867 6.9343 9.41537 6.60703 2.66303 -6.78937 3.91652
14 1 47.867 7.25177 8.10963 9.34093 -5.54459 4.24593 -0.160917
15 1 47.867 10.0554 8.47902 7.46363 5.53476 2.16435 -2.84769
16 1 47.867 8.21161 11.024 8.04598 -11.4118 -1.5935 -1.57421
17 1 47.867 8.54631 10.1658 11.0175 1.63518 -2.51059 4.49159
18 1 47.867 11.0733 10.3078 9.46974 -3.80993 -3.59605 -1.86261
19 1 47.867 9.59153 12.6354 10.0514 2.5206 0.00634282 -3.50119
20 1 47.867 10.2231 11.279 12.7005 -1.05183 -1.35962 3.45755
21 1 47.867 12.798 12.1387 11.3937 -1.61155 -2.13793 3.94834
22 1 47.867 11.2914 14.3727 11.8966 6.09628 2.58534 -3.31945
23 1 47.867 -7.98653 13.6204 13.1782 1.73428 -0.0689435 -1.42122
24 1 47.867 -6.97678 -5.98859 13.869 0.652038 5.93381 0.259858
25 1 47.867 13.0598 -3.45414 14.4087 -0.122408 4.32458 5.98244
26 1 47.867 0.713392 6.15851 1.5402 5.05095 -2.42431 -5.81211
27 1 47.867 2.85377 7.76538 0.416157 2.08123 4.01409 0.0430284
28 1 47.867 1.30527 10.1693 1.1112 -6.45231 -5.31358 2.30456
29 1 47.867 2.49771 8.80701 3.39768 -5.06982 -3.71596 2.09746
30 1 47.867 4.97044 9.2246 2.13829 -0.766321 -7.72264 -1.06254
31 1 47.867 3.18831 11.4896 2.73712 -1.91179 7.73324 -2.38065
32 1 47.867 3.54503 10.5416 5.45687 3.2833 0.270008 1.33962
33 1 47.867 5.99671 11.2121 4.69199 -1.30291 -4.00576 -2.51522
34 1 47.867 4.46058 13.6007 4.59369 9.11638 4.08063 -1.18811
35 1 47.867 5.32806 11.8435 7.02545 1.97461 -2.2225 -1.23719
36 1 47.867 8.11024 12.779 6.06213 -3.39939 -3.97647 0.343643
37 1 47.867 6.38813 15.0119 6.71974 9.98103 4.37663 -7.2694
38 1 47.867 7.00116 13.2166 9.18433 -2.80786 8.99211 -3.55896
39 1 47.867 9.38859 14.4655 7.92751 4.79108 -0.637122 2.35172
40 1 47.867 10.2476 -5.25017 8.31083 -1.58101 4.68641 -4.89112
41 1 47.867 10.5571 -6.87293 11.0313 -2.18029 6.96626 -0.0530279
42 1 47.867 12.832 -6.04568 9.7718 0.244871 -5.44821 -6.93844
43 1 47.867 11.0406 -3.43005 10.4988 -0.614733 -2.78623 -1.14076
44 1 47.867 12.175 -5.53088 12.8603 -8.38072 0.35247 -3.03311
45 1 47.867 13.923 -3.9582 11.3473 -0.826429 -5.04498 -0.720622
46 1 47.867 12.6583 -1.8224 12.105 0.997968 6.38662 -2.03283
47 1 47.867 -6.35783 -3.04874 13.0832 0.484288 -0.586637 -0.429111
48 1 47.867 -7.80699 -0.389568 13.9225 -6.46356 -0.0159239 3.02831
49 1 47.867 12.7705 1.78425 14.3781 -3.27367 0.61804 -0.279119
50 1 47.867 0.0712265 12.4162 1.32644 4.76212 -8.01331 -5.82986
51 1 47.867 2.95119 12.9894 0.598572 1.45645 -6.22964 3.03024
52 1 47.867 1.28822 15.4675 0.863921 1.49887 -0.161225 5.32297
53 1 47.867 1.38608 13.854 3.38206 -5.97671 -0.819823 1.04905
54 1 47.867 4.14883 14.7249 2.112 -2.31382 -6.74427 -0.906327
55 1 47.867 3.2253 17.389 2.57181 2.33986 3.72922 -6.4357
56 1 47.867 3.11348 15.8054 4.98512 -3.79498 5.58098 2.41192
57 1 47.867 6.2128 15.9641 3.90026 3.19514 3.26792 -6.22037
58 1 47.867 6.16198 -2.68204 5.02612 2.50151 -1.20435 8.06283
59 1 47.867 4.73785 17.1074 6.98398 -7.68698 -5.646 -1.14042
60 1 47.867 7.35289 17.9132 5.86457 2.77521 4.17784 -5.33375
61 1 47.867 7.80094 -1.19416 6.62544 -4.96865 0.435099 -2.33506
62 1 47.867 8.44652 -3.11221 9.17834 0.605215 -5.72029 -5.43625
63 1 47.867 10.8042 -2.38679 7.99959 2.87704 -4.53956 -2.21602
64 1 47.867 9.48457 0.139036 8.42658 1.18812 0.238703 -0.908019
65 1 47.867 9.79554 -1.11087 10.8528 -2.41785 -0.124144 1.2727
66 1 47.867 12.5639 -0.585613 9.19258 1.06769 2.86196 2.54383
67 1 47.867 10.7404 1.5567 10.1142 -1.25524 2.98291 2.13785
68 1 47.867 10.9927 0.428251 12.7705 1.35816 4.35672 6.36437
69 1 47.867 13.5003 1.15644 11.7091 -1.27135 -4.12123 2.63184
70 1 47.867 12.0063 3.38974 12.0571 4.62561 5.20501 3.63854
71 1 47.867 -6.50725 2.58431 12.784 1.90374 -3.53108 2.0117
72 1 47.867 -8.54682 4.95388 13.6817 6.24541 1.37285 0.737324
73 1 47.867 -9.6809 7.84743 14.4023 -0.0928338 -0.944761 -0.697538
74 1 47.867 -0.126338 17.6836 1.58799 -5.38799 1.99948 0.562553
75 1 47.867 2.87598 18.7098 0.0468279 7.54667 -5.42841 -4.94472
76 1 47.867 0.772105 20.4483 1.39335 5.2549 -1.63434 2.07282
77 1 47.867 3.20763 -2.45498 3.80845 0.46292 -0.962135 -5.3909
78 1 47.867 3.68429 20.1639 2.11166 0.132954 -0.268904 -5.17048
79 1 47.867 4.31609 0.963718 2.80342 4.73356 -2.16628 10.0203
80 1 47.867 4.7314 -0.528748 5.44872 2.6144 1.8128 1.27171
81 1 47.867 6.71788 -0.271025 3.82752 -4.19685 1.43461 -1.63758
82 1 47.867 5.34216 2.5677 5.07163 2.83383 -5.49056 -1.96848
83 1 47.867 6.28197 0.823701 7.15438 -0.955156 0.697643 5.1395
84 1 47.867 8.98442 1.52499 6.00439 3.17247 -4.28662 1.76176
85 1 47.867 7.07566 4.36173 6.49437 3.05992 5.55006 4.97915
86 1 47.867 7.7076 2.29215 8.58263 -2.05384 4.88063 -2.83508
87 1 47.867 10.7579 3.03586 7.83974 2.43848 1.56078 3.08419
88 1 47.867 9.16414 5.5504 7.82804 10.5455 -1.29659 -3.3836
89 1 47.867 9.1659 3.90613 10.0989 0.442488 0.276041 -0.917464
90 1 47.867 11.7632 5.10252 9.6522 0.528706 -3.31436 6.41495
91 1 47.867 9.98855 7.52918 9.9313 -4.69067 -7.48632 5.45749
92 1 47.867 10.5474 5.87985 12.4776 -1.37159 -3.96288 1.96141
93 1 47.867 12.9049 6.93646 11.5617 -4.22888 -0.1375 -4.0788
94 1 47.867 11.6412 9.0059 12.0587 3.15997 -5.4292 1.44486
95 1 47.867 -7.14544 7.89951 13.0061 -1.25041 -6.24727 0.359419
96 1 47.867 -8.68694 10.5616 13.7093 4.57107 1.20844 -7.41846
97 1 47.867 -2.39761 -8.84159 14.3729 -1.77016 4.60289 2.73059
98 1 47.867 7.2194 1.19756 1.57008 -1.73724 -5.41332 -4.15645
99 1 47.867 9.34162 2.12628 -0.015883 4.99414 -2.17978 -0.383278
100 1 47.867 7.73475 4.7052 1.12871 7.19189 0.284233 -5.1624
101 1 47.867 8.01801 2.56842 3.69323 0.826278 4.18046 2.29631
102 1 47.867 10.1851 3.40169 2.2614 -0.656774 5.7712 1.7077
103 1 47.867 9.42766 6.21526 3.42572 0.931317 -2.67002 -2.89669
104 1 47.867 10.1131 4.41576 5.67679 0.698288 6.81837 -4.17601
105 1 47.867 12.2906 5.56206 3.5828 1.09544 -1.35735 -4.20986
106 1 47.867 10.8371 8.00239 4.94342 4.11408 11.5376 -4.97813
107 1 47.867 11.8775 5.83391 6.82519 0.667745 1.8159 0.501234
108 1 47.867 14.1877 7.05915 5.90725 -2.3911 5.69811 -2.65821
109 1 47.867 12.5305 9.59039 6.27686 -4.1276 -0.268898 0.24937
110 1 47.867 12.6398 8.03103 8.94591 1.30725 -4.22513 -0.339216
111 1 47.867 15.2798 9.07406 7.68156 3.49313 2.929 0.40898
112 1 47.867 13.6724 10.8078 8.90836 3.33247 -0.698314 2.41429
113 1 47.867 -7.81878 9.56581 11.3396 -2.61184 -2.74648 -4.23281
114 1 47.867 -5.18355 10.254 9.78995 0.425902 1.65227 1.59656
115 1 47.867 -6.90178 12.7899 10.2234 5.60325 -0.0479387 -0.938038
116 1 47.867 -6.32399 11.566 12.3798 -0.230067 0.618768 -4.27872
117 1 47.867 -3.85969 12.1971 11.1476 -3.41562 5.37795 0.277612
118 1 47.867 -3.13251 -7.53918 12.1909 5.35435 -5.00935 0.675365
119 1 47.867 -0.362316 -7.95888 13.079 -4.92523 0.957914 -0.259723
120 1 47.867 -2.02702 -5.76599 14.1942 -5.56076 -4.74111 -6.7588
121 1 47.867 4.92341 5.71012 0.0849476 4.44516 1.75965 -7.04162
122 1 47.867 6.49424 7.01478 2.08309 -0.958697 -3.29175 2.1578
123 1 47.867 8.66984 7.46786 0.347235 -0.101133 1.56415 5.38733
124 1 47.867 7.55169 9.9888 1.06779 -5.4431 4.12385 -0.00633595
125 1 47.867 7.49766 8.73437 3.72614 -2.78121 -0.558639 9.20672
126 1 47.867 9.92039 8.80561 2.12226 1.67756 -4.56848 -2.00481
127 1 47.867 8.69554 11.4531 3.20399 -8.11083 3.81003 3.01308
128 1 47.867 9.54516 10.5763 5.32509 0.242825 -2.28658 3.63216
129 1 47.867 12.0539 10.8992 3.7469 -1.45125 2.39213 -6.6499
130 1 47.867 10.4202 13.6325 4.99642 -5.54033 -1.53982 -4.10811
131 1 47.867 10.8394 12.0519 7.35287 3.22851 -3.89789 -6.32633
132 1 47.867 13.2296 12.4999 6.50717 -2.24911 -0.217397 -0.448894
133 1 47.867 11.9897 14.9575 6.74108 -3.70876 -3.58375 -2.42748
134 1 47.867 12.5155 13.6152 9.22581 -0.313994 2.00751 0.198979
135 1 47.867 14.9089 14.4752 8.16844 1.22617 -1.45172 4.38924
136 1 47.867 15.1259 -5.30392 8.61446 2.34745 1.63881 -3.33308
137 1 47.867 -6.12775 -6.37798 11.0482 -8.93365 -2.62981 0.0252362
138 1 47.867 -3.93624 -5.92096 9.88938 4.98735 0.965908 -4.2181
139 1 47.867 -5.37279 -3.32993 10.2829 -9.86155 4.09445 5.26527
140 1 47.867 -4.38788 -4.80278 12.6895 5.38581 -3.44694 -1.52922
141 1 47.867 -1.87679 -4.35388 11.3905 2.24792 -1.51988 3.44711
142 1 47.867 -3.68478 -2.15701 12.5018 -0.24642 -4.93286 2.74836
143 1 47.867 -0.92684 -2.56122 13.0485 -0.621559 -2.34192 -2.94496
144 1 47.867 -2.4118 -0.359733 14.1576 1.63944 -4.29069 0.243463
145 1 47.867 -3.96009 2.00234 14.3883 2.13164 -1.96726 1.75657
146 1 47.867 5.75495 12.0824 1.69612 0.642488 -4.37722 -6.06072
147 1 47.867 8.56213 13.295 0.441768 2.65601 -1.98025 3.31638
148 1 47.867 7.01177 15.4154 1.15262 -4.20026 2.6467 -0.350444
149 1 47.867 7.0921 13.6343 3.42747 -4.03449 -6.25961 3.86559
150 1 47.867 9.72449 14.8808 2.7339 2.53388 -2.94714 0.118344
151 1 47.867 8.23293 17.4241 2.6776 -3.80433 -2.8766 -4.58786
152 1 47.867 8.46672 15.7241 5.22869 6.25346 2.31701 5.71182
153 1 47.867 11.4656 15.9139 4.4784 -1.77851 3.14247 -4.58899
154 1 47.867 9.81278 18.536 4.60672 -3.89121 1.97832 8.39401
155 1 47.867 10.5831 17.2448 7.24098 4.86669 -2.07071 -1.20383
156 1 47.867 14.5584 -3.51467 5.89094 -2.17972 -3.91185 1.50248
157 1 47.867 13.2615 -1.24103 6.213 6.92413 -2.76701 -7.50314
158 1 47.867 14.0699 -2.67482 8.48408 0.219234 2.32178 -0.503537
159 1 47.867 16.805 -2.06414 7.3665 -2.49569 -7.11351 1.9935
160 1 47.867 14.9926 0.0129139 8.64009 -1.55365 -3.59918 -0.200068
161 1 47.867 15.1434 -1.26034 10.9654 -1.64107 0.354179 4.72579
162 1 47.867 -4.17495 -0.535157 9.74729 -2.24631 -2.8237 8.16421
163 1 47.867 -5.74534 2.03069 10.1717 1.74398 -4.18764 -0.87684
164 1 47.867 -5.25963 0.0456254 12.6317 -8.33042 0.120944 -0.843136
165 1 47.867 -3.10249 1.36684 11.7147 -6.39356 -1.08426 -4.94034
166 1 47.867 -3.73912 3.87973 12.0408 -3.1569 -1.0505 -0.546677
167 1 47.867 -1.04706 2.48643 13.1021 1.24989 -1.89757 -0.332095
168 1 47.867 -2.53364 4.66141 14.3205 0.214876 2.75138 0.812846
169 1 47.867 -4.0768 7.34108 14.1502 1.77977 -2.12233 -2.09687
170 1 47.867 5.53897 17.9005 1.31125 3.17502 -0.164879 0.870795
171 1 47.867 0.208798 10.1166 14.2085 -2.05119 0.520988 -0.420025
172 1 47.867 6.27126 20.6504 0.865732 -2.18082 3.33388 -2.46218
173 1 47.867 8.70133 -2.37822 3.46071 -0.121933 -4.41519 4.36937
174 1 47.867 9.29002 19.907 1.89661 6.57934 -0.705725 1.74338
175 1 47.867 9.73008 0.474253 2.88741 -3.12843 -0.737899 -0.538413
176 1 47.867 10.541 -0.876722 5.27481 -3.82834 -7.63886 4.55967
177 1 47.867 12.4899 -0.0903737 3.93486 0.242018 6.60222 -3.03009
178 1 47.867 11.1931 2.38687 4.45971 0.768753 4.57383 7.70806
179 1 47.867 11.7368 0.727595 6.72468 10.8575 2.41759 5.07006
180 1 47.867 14.6188 0.851068 5.63775 -3.66571 4.27096 -5.95101
181 1 47.867 13.337 3.29502 6.39038 0.973533 4.49397 -3.31027
182 1 47.867 13.7069 2.5758 9.07926 6.40058 -2.70094 2.07191
183 1 47.867 16.1071 3.20693 7.48297 2.4485 -3.02237 -0.150799
184 1 47.867 14.2026 5.49713 8.05606 0.21273 3.48968 6.21351
185 1 47.867 14.2004 4.50167 10.8383 -7.32506 0.470187 1.27659
186 1 47.867 -5.09958 5.05424 9.75019 4.9045 -2.47266 4.54387
187 1 47.867 -6.51226 7.64098 10.0278 1.49161 -3.18781 -0.286211
188 1 47.867 -5.8587 5.48742 12.9141 1.74433 -3.89934 -5.05237
189 1 47.867 -3.12079 6.33057 11.6724 2.03621 -1.95281 2.7376
190 1 47.867 -4.73899 8.82411 12.0433 4.45808 5.95888 -1.86285
191 1 47.867 -1.71534 8.04384 13.1741 0.0635293 1.58575 -3.64524
192 1 47.867 -2.93254 10.7463 13.2982 -6.09446 -0.888329 -3.79261
193 1 47.867 0.428801 12.8104 14.3374 -2.32459 -2.3003 3.97572
194 1 47.867 11.9633 1.68389 1.32198 0.090679 3.00407 -1.24957
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