first release

This commit is contained in:
2022-03-12 18:23:22 +09:00
commit 87e8866309
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ITEM: TIMESTEP
12723
ITEM: NUMBER OF ATOMS
409
ITEM: BOX BOUNDS pp pp pp
0.000000e+00 1.728410e+01
0.000000e+00 1.728410e+01
0.000000e+00 1.728410e+01
ITEM: ATOMS id type element x y z
1 1 Si 1.639352e+01 1.707394e-01 1.426226e+01
2 1 Si 3.508650e+00 7.513917e-01 1.711290e+01
3 1 Si 1.466087e+01 1.202902e+01 1.018293e+01
4 1 Si 8.747517e+00 1.552503e+01 1.077393e+01
5 1 Si 1.917218e+00 1.139287e+01 1.284188e+01
6 1 Si 9.284197e+00 7.933548e+00 1.863205e+00
7 1 Si 1.446000e+01 6.487723e+00 1.590775e+01
8 1 Si 1.172563e+01 1.929512e+00 8.147139e+00
9 1 Si 1.617399e+01 1.075462e+01 3.422920e+00
10 1 Si 1.026937e+01 3.813961e+00 1.019526e+01
11 1 Si 9.722116e+00 6.330015e+00 8.258410e+00
12 1 Si 3.011155e+00 1.558313e+01 1.458342e+00
13 1 Si 1.480102e+01 8.478787e+00 1.348145e+01
14 1 Si 5.083476e+00 7.991122e+00 2.708912e+00
15 1 Si 1.297058e+01 7.457372e+00 1.113988e+01
16 1 Si 1.631416e+01 9.638650e+00 9.443530e+00
17 1 Si 9.566710e+00 4.872884e+00 2.647552e+00
18 1 Si 1.591847e+01 5.491700e+00 3.836532e+00
19 1 Si 3.587170e+00 1.721107e+01 5.483256e+00
20 1 Si 1.286671e+01 1.711478e+00 6.901031e-03
21 1 Si 1.179758e+01 7.790888e+00 6.742244e+00
22 1 Si 9.755930e+00 1.055552e+00 5.801267e+00
23 1 Si 3.817625e+00 1.493734e+01 1.016360e+01
24 1 Si 5.829739e+00 1.005239e+01 1.123271e+01
25 1 Si 6.828147e+00 4.814438e+00 1.414505e+01
26 1 Si 1.435719e+01 1.690938e+01 4.918257e+00
27 1 Si 1.849721e+00 4.359878e+00 1.459822e+01
28 1 Si 8.633922e+00 1.663782e+01 1.565466e+01
29 1 Si 2.141496e+00 1.248228e+00 1.440964e+01
30 1 Si 9.871988e+00 1.634678e+01 1.179930e+00
31 1 Si 3.684526e+00 8.724471e+00 1.604519e+01
32 1 Si 3.687641e+00 1.365362e+00 1.180098e+01
33 1 Si 1.441972e+00 2.035502e+00 9.575098e+00
34 1 Si 1.254965e-02 5.610036e+00 1.673978e+01
35 1 Si 3.457922e+00 1.260571e+01 3.714549e+00
36 1 Si 1.075869e+01 9.629001e+00 1.054977e+01
37 1 Si 1.684652e+01 1.322187e+01 1.186971e+01
38 1 Si 2.947382e+00 7.031339e+00 4.858824e+00
39 1 Si 8.417593e-01 1.487398e+01 9.581545e+00
40 1 Si 1.474633e+01 1.566096e-01 1.844829e+00
41 1 Si 1.549823e+01 1.652516e+01 9.121069e+00
42 1 Si 8.545471e+00 5.500224e+00 5.384342e+00
43 1 Si 2.295400e+00 6.393994e+00 1.225574e+01
44 1 Si 2.153449e+00 2.238048e+00 2.248519e+00
45 1 Si 1.717879e+01 1.591908e+01 5.375966e+00
46 1 Si 2.316815e-01 1.342083e+01 7.014473e+00
47 1 Si 1.556133e+01 1.462993e+01 1.752137e+00
48 1 Si 9.666708e+00 1.397893e+01 8.136184e+00
49 1 Si 1.651362e+01 3.667985e+00 1.045406e+01
50 1 Si 1.594276e+00 1.086446e+01 7.930224e+00
51 1 Si 1.606716e+01 1.443613e+01 1.451561e+01
52 1 Si 3.000450e+00 6.157352e+00 9.272017e+00
53 1 Si 1.065500e+01 7.692680e-01 1.055633e+01
54 1 Si 4.828150e+00 1.438758e+01 1.301708e+01
55 1 Si 1.462073e+01 4.882288e-01 1.194506e+01
56 1 Si 5.376810e+00 1.284040e+01 6.005510e+00
57 1 Si 4.289199e+00 8.376495e+00 1.336145e+01
58 1 Si 1.703243e+01 1.293768e+01 1.680170e+01
59 1 Si 9.093460e-01 8.449762e+00 2.494832e-01
60 1 Si 1.075098e+01 1.413919e+00 1.507315e+01
61 1 Si 1.313644e+01 1.087516e+01 3.626732e+00
62 1 Si 1.152092e+01 8.721873e+00 1.543701e+01
63 1 Si 1.584506e+01 1.043262e+01 3.688939e-01
64 1 Si 1.442444e+01 3.434654e+00 1.244753e+01
65 1 Si 5.376876e+00 1.563544e+01 7.580276e+00
66 1 Si 9.590309e+00 4.277228e+00 1.568729e+01
67 1 Si 7.161995e+00 7.536825e+00 1.390593e+01
68 1 Si 8.445615e+00 8.640829e+00 1.631490e+01
69 1 Si 1.311140e+01 1.095560e+01 1.439528e+01
70 1 Si 7.478301e+00 2.751386e+00 9.484934e+00
71 1 Si 4.405120e+00 5.531606e+00 1.611995e+01
72 1 Si 1.137727e+00 8.521109e-01 6.877314e+00
73 1 Si 3.330188e-01 8.793300e+00 1.222672e+01
74 1 Si 7.470457e+00 2.819086e+00 6.414198e+00
75 1 Si 9.480633e+00 1.357915e+01 1.530801e+01
76 1 Si 1.207896e+01 1.209158e+01 1.180222e+01
77 1 Si 6.123380e+00 1.069716e+01 1.601736e+01
78 1 Si 8.058700e+00 1.602025e+01 6.456813e+00
79 1 Si 5.523109e+00 4.924678e+00 9.895471e+00
80 1 Si 3.478081e+00 1.170609e+01 1.030131e+01
81 1 Si 3.273173e+00 8.438268e+00 7.559050e+00
82 1 Si 7.633503e+00 4.056187e+00 8.526849e-01
83 2 B 6.039468e+00 1.187243e+01 1.329484e+01
84 2 B 7.533174e+00 1.264142e+01 1.682422e+01
85 2 B 1.313887e+01 5.204760e+00 3.338942e+00
86 2 B 1.200846e+01 5.004457e+00 1.242699e+01
87 2 B 1.466327e+01 2.208670e+00 1.516653e+01
88 2 B 1.369927e+01 1.338893e+01 1.563529e+01
89 2 B 3.140320e-01 4.414115e+00 2.196343e+00
90 2 B 7.619143e+00 8.006990e+00 4.116531e+00
91 2 B 5.515783e+00 2.277529e+00 6.993374e-01
92 2 B 1.228713e+01 1.391232e+01 7.151136e+00
93 2 B 1.197269e+01 7.085285e+00 4.211327e+00
94 2 B 5.099982e+00 1.449139e+01 2.484002e+00
95 2 B 1.069820e+01 9.440902e-01 3.132081e+00
96 2 B 9.459582e-01 4.609073e+00 8.853228e+00
97 2 B 1.252381e+01 1.484328e+01 4.910567e+00
98 2 B 1.228047e+01 5.270922e-01 1.279182e+01
99 2 B 1.178226e+01 5.853740e+00 1.495515e+01
100 2 B 1.712750e+00 1.693620e+01 3.508549e+00
101 2 B 3.851475e+00 1.055939e+01 2.183544e+00
102 2 B 7.686779e+00 1.227983e+01 4.367151e+00
103 2 B 1.181080e+01 3.176140e+00 2.346669e+00
104 2 B 8.154215e+00 8.543966e+00 1.140845e+01
105 2 B 6.441020e+00 1.655454e+01 1.401303e+01
106 2 B 1.018499e+01 1.378679e+01 1.253390e+01
107 2 B 4.713561e+00 3.299124e+00 2.840312e+00
108 2 B 1.557800e+01 4.398671e+00 8.080793e+00
109 2 B 4.269681e+00 1.073891e+01 7.175526e+00
110 2 B 5.438481e+00 5.346066e+00 1.384655e+00
111 2 B 3.295935e+00 1.286588e+01 1.486716e+01
112 2 B 8.121601e+00 1.012357e+01 5.652934e+00
113 2 B 1.201471e+01 8.831901e+00 2.349769e+00
114 2 B 1.356424e+01 8.570992e+00 3.094052e-01
115 2 B 7.730781e+00 6.778986e+00 9.850439e+00
116 2 B 1.290188e+01 1.358563e+01 2.651491e+00
117 2 B 1.173197e+01 1.052117e+01 6.038932e+00
118 2 B 1.483307e+01 1.394084e+01 8.075919e+00
119 2 B 1.580993e+00 4.721567e+00 4.331116e+00
120 2 B 5.279508e+00 3.732885e+00 1.226662e+01
121 2 B 5.253608e+00 2.105423e+00 5.076758e+00
122 3 Al 1.709966e+01 3.592785e+00 6.216188e+00
123 3 Al 1.482416e+01 1.689067e+00 7.115964e+00
124 3 Al 9.779291e+00 1.086574e+01 7.698804e+00
125 3 Al 1.155902e+01 1.406676e+01 2.046757e-01
126 3 Al 2.849625e-01 1.329799e+01 3.921816e+00
127 3 Al 4.602680e-01 8.084575e+00 3.370662e+00
128 3 Al 1.442662e+01 7.159460e+00 8.423147e+00
129 3 Al 6.550761e+00 5.821707e-02 1.123051e+01
130 3 Al 7.987035e+00 1.405355e+01 2.009911e+00
131 3 Al 2.813799e+00 1.259242e+01 3.073693e-01
132 4 Na 1.363885e+01 1.619641e+01 1.629884e+01
133 4 Na 4.922425e+00 1.484317e+01 1.625277e+01
134 4 Na 1.316740e+01 4.557866e+00 9.641540e+00
135 4 Na 9.490100e+00 1.020135e+01 1.329599e+01
136 4 Na 6.802884e+00 1.191337e+01 8.718508e+00
137 4 Na 1.442908e+01 8.106276e+00 3.405816e+00
138 4 Na 2.997646e+00 3.733151e+00 6.715017e+00
139 4 Na 1.685275e+01 1.865500e+00 3.837470e+00
140 4 Na 1.477067e+01 3.473819e+00 1.278271e+00
141 4 Na 9.778822e+00 6.352037e+00 1.230862e+01
142 4 Na 1.166500e+01 5.678070e+00 6.262994e-01
143 4 Na 1.213787e+01 1.534684e+01 9.827604e+00
144 4 Na 1.267647e+01 1.122365e+01 4.645555e-01
145 4 Na 6.818444e+00 8.596740e+00 7.363754e+00
146 4 Na 5.814367e+00 5.417051e+00 4.515863e+00
147 4 Na 9.887977e+00 1.459324e+01 4.458772e+00
148 4 Na 1.747568e+00 1.046576e+01 5.082177e+00
149 4 Na 1.256532e+01 2.469892e+00 5.164184e+00
150 4 Na 9.782004e+00 1.068199e+01 3.021897e+00
151 4 Na 8.821774e+00 2.855802e+00 1.282178e+01
152 4 Na 7.648466e-01 1.036103e+01 1.536329e+01
153 4 Na 6.514847e+00 1.696391e+01 3.168989e+00
154 4 Na 3.001786e-01 5.590510e-01 1.086782e+00
155 4 Na 1.710183e+01 6.892172e+00 7.556355e+00
156 4 Na 1.010790e+00 1.719133e+01 1.172736e+01
157 4 Na 2.948115e+00 5.533165e+00 1.841288e+00
158 4 Na 1.450943e+01 1.237643e+01 5.586937e+00
159 5 O 5.750285e+00 5.279883e+00 1.520054e+01
160 5 O 1.349170e+01 1.726744e+01 1.304540e+01
161 5 O 1.662685e+01 1.436672e+01 2.945219e+00
162 5 O 1.708020e+01 9.407934e+00 1.083211e+01
163 5 O 1.605259e+01 1.600381e+01 1.488763e+01
164 5 O 1.528164e+01 3.787304e+00 9.381601e+00
165 5 O 7.070930e+00 1.656855e+01 1.524566e+01
166 5 O 1.181297e+01 2.912974e-01 1.157391e+01
167 5 O 1.491815e+01 7.168976e+00 1.451802e+01
168 5 O 7.950679e+00 2.458567e+00 7.909477e+00
169 5 O 1.055174e+01 1.317573e+01 1.637298e+01
170 5 O 1.427680e+01 5.781526e+00 3.706209e+00
171 5 O 8.608701e+00 3.806419e+00 1.003162e+01
172 5 O 1.004259e+01 1.319607e+01 1.380236e+01
173 5 O 3.295795e+00 3.302056e+00 2.714559e+00
174 5 O 1.428994e+01 1.945742e+00 1.171203e+01
175 5 O 8.629286e-01 1.197958e+01 6.862718e+00
176 5 O 7.394692e+00 4.332189e+00 5.852966e+00
177 5 O 1.460237e+01 1.043418e+00 5.559272e+00
178 5 O 1.471494e+01 1.693298e+01 1.057416e+01
179 5 O 2.505492e+00 1.179482e+01 1.428897e+01
180 5 O 4.652774e-01 1.422185e+01 5.533907e+00
181 5 O 5.271321e+00 4.824668e+00 1.147769e+01
182 5 O 8.879940e+00 4.031031e+00 1.709626e+01
183 5 O 9.326166e+00 5.689770e+00 6.761020e+00
184 5 O 9.258713e+00 1.468832e+01 1.205754e+01
185 5 O 1.031062e+01 3.564250e-01 4.355144e+00
186 5 O 7.206075e+00 1.577742e+01 1.085866e+01
187 5 O 4.603067e+00 1.325684e+01 2.748906e+00
188 5 O 1.634340e+01 8.672021e+00 1.321663e+01
189 5 O 1.201853e+01 8.681299e+00 1.059574e+01
190 5 O 6.138261e-01 4.686248e+00 1.554306e+01
191 5 O 6.795502e+00 5.400389e+00 8.475703e-01
192 5 O 1.630956e+01 4.822736e+00 5.192996e+00
193 5 O 8.898239e+00 1.467227e+01 6.857247e+00
194 5 O 4.308311e+00 2.777352e+00 1.227048e+01
195 5 O 8.260099e+00 1.111866e+01 4.697059e+00
196 5 O 1.724150e+01 4.426614e+00 7.849749e+00
197 5 O 3.495695e+00 9.118351e+00 1.450861e+01
198 5 O 8.539167e+00 2.041423e+00 5.478508e+00
199 5 O 1.148426e+01 2.125779e+00 3.224935e+00
200 5 O 1.304216e+01 5.688752e+00 1.581638e+01
201 5 O 5.282173e+00 2.201625e+00 2.009043e+00
202 5 O 1.800693e+00 1.628720e+01 2.165296e+00
203 5 O 4.231268e+00 1.559545e+01 2.457246e+00
204 5 O 9.427866e+00 5.220083e-01 1.487701e+01
205 5 O 3.714650e+00 1.291752e+01 1.610248e+01
206 5 O 1.717450e+01 1.362191e+01 1.531173e+01
207 5 O 1.601558e+01 1.167886e+01 1.661672e+01
208 5 O 8.291794e+00 1.045901e+01 7.000016e+00
209 5 O 7.633822e+00 6.668146e+00 4.770238e+00
210 5 O 1.091730e+01 7.285107e+00 7.932532e+00
211 5 O 1.829570e+00 5.093349e+00 1.313063e+01
212 5 O 1.120009e+00 5.151541e+00 3.098694e+00
213 5 O 1.559982e+01 1.231878e+01 1.154857e+01
214 5 O 5.263054e+00 4.596051e+00 2.516783e+00
215 5 O 6.236849e+00 3.622261e+00 1.324520e+01
216 5 O 9.012176e+00 1.543060e+01 2.232323e+00
217 5 O 2.848971e+00 6.584202e-01 1.567175e+01
218 5 O 1.357650e+01 1.357879e+01 7.393078e+00
219 5 O 1.570538e+01 5.563932e+00 1.659496e+01
220 5 O 5.867656e+00 1.317672e+01 1.290910e+01
221 5 O 1.648562e+01 1.201067e+01 4.418102e+00
222 5 O 1.207133e+01 6.038174e+00 3.282334e+00
223 5 O 5.079442e+00 3.093636e+00 4.245966e+00
224 5 O 4.848853e+00 3.600310e-01 1.118548e+01
225 5 O 9.284464e+00 1.715733e+01 6.729574e+00
226 5 O 8.399497e+00 7.089097e+00 8.690414e+00
227 5 O 1.209763e+01 1.031094e+01 2.602890e+00
228 5 O 1.183900e+01 5.067359e+00 1.378924e+01
229 5 O 3.224880e-01 4.818616e+00 1.010946e+01
230 5 O 1.326193e+01 7.730843e+00 7.322166e+00
231 5 O 9.355723e-02 1.051490e+01 8.629007e+00
232 5 O 1.444481e+01 7.543039e+00 1.711528e+01
233 5 O 9.659723e+00 5.094732e+00 4.272262e+00
234 5 O 7.206109e+00 1.545836e+00 1.046976e+01
235 5 O 1.504105e+01 5.639155e+00 7.871653e+00
236 5 O 1.396697e+01 2.426961e+00 1.632020e+01
237 5 O 1.559460e+01 1.619258e+01 1.335411e+00
238 5 O 5.418227e+00 1.149592e+01 6.930654e+00
239 5 O 2.611294e+00 1.015617e+00 6.255922e+00
240 5 O 9.919948e+00 9.054684e+00 1.570314e+01
241 5 O 3.303330e+00 7.350278e+00 6.392048e+00
242 5 O 1.234563e+01 1.461171e+01 3.609846e+00
243 5 O 7.870753e+00 7.469968e+00 1.539031e+01
244 5 O 1.879692e+00 9.231253e+00 7.606460e+00
245 5 O 4.977333e+00 1.094247e+01 1.015029e+01
246 5 O 1.043477e+01 1.015454e+01 9.089180e+00
247 5 O 9.535476e+00 6.301822e+00 1.816699e+00
248 5 O 1.552808e+01 1.144191e+00 1.519681e+01
249 5 O 1.643767e+01 1.437181e+01 1.289489e+01
250 5 O 1.091681e+01 1.775211e+00 6.712531e+00
251 5 O 6.888525e-01 4.091292e-01 1.429317e+01
252 5 O 6.694814e+00 2.882721e+00 2.535634e-01
253 5 O 1.047938e+00 8.250440e+00 1.753867e+00
254 5 O 1.464109e+01 1.023705e+01 3.637764e+00
255 5 O 2.256166e+00 9.028643e+00 1.680798e+01
256 5 O 1.332826e+01 1.200629e+01 1.563999e+01
257 5 O 1.081140e+01 4.106231e+00 1.942768e+00
258 5 O 1.311923e+01 8.303840e+00 1.642711e+00
259 5 O 1.297657e+01 1.198365e+01 1.312693e+01
260 5 O 3.559756e+00 1.653941e+01 2.232191e-01
261 5 O 4.529934e+00 9.409878e+00 7.373908e+00
262 5 O 4.398306e+00 1.632533e+01 6.543641e+00
263 5 O 1.073098e+01 5.449152e+00 1.585358e+01
264 5 O 2.733990e+00 5.889347e+00 1.080836e+01
265 5 O 1.016339e+01 2.246982e+00 1.087881e+01
266 5 O 6.553778e+00 1.107837e+01 1.226198e+01
267 5 O 1.595796e+01 1.362837e+01 7.114217e+00
268 5 O 1.133600e+01 1.407881e+01 8.095002e+00
269 5 O 1.024524e+01 2.890919e+00 1.519263e+01
270 5 O 1.112408e+01 1.150050e+01 6.663344e+00
271 5 O 3.901008e-01 1.668551e+01 4.034335e+00
272 5 O 6.811405e+00 2.905989e-03 1.301641e+01
273 5 O 1.589244e+01 8.267193e+00 8.708730e+00
274 5 O 6.404975e-01 7.067821e+00 1.666581e+01
275 5 O 1.101215e+01 1.089847e+01 1.155258e+01
276 5 O 2.771512e+00 5.451642e+00 4.756501e+00
277 5 O 1.049734e+01 3.483000e-01 1.908527e+00
278 5 O 5.876238e+00 1.124687e+01 1.449056e+01
279 5 O 1.191574e+01 1.321137e+01 1.681913e+00
280 5 O 2.973769e+00 7.490468e-01 1.313795e+01
281 5 O 4.242483e+00 7.593485e+00 4.108856e+00
282 5 O 1.768002e+00 7.962415e+00 4.380427e+00
283 5 O 1.260077e+00 9.877858e+00 1.298359e+01
284 5 O 5.653317e-01 5.049104e+00 8.959625e-01
285 5 O 3.606027e+00 1.385174e+01 1.391730e+01
286 5 O 2.572665e+00 1.468375e+00 1.061835e+01
287 5 O 7.659950e+00 8.941159e+00 5.228700e+00
288 5 O 1.948209e+00 1.035285e+00 3.317101e+00
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