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quantum-espresso
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quantum-espresso/PW/examples/Extffield_example/reference/SiH4.extffield

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Iteration Coordinate Load(X) Load(Y) Load(Z) Coordinate Load(X) Load(Y) Load(Z)
0 5.000000 0.000000 0.000000 0.000000 11.300000 0.000000 0.000000 0.000000
1 5.005000 0.000000 0.000000 0.000000 11.295000 0.000000 0.000000 0.000000
2 5.010000 0.000000 0.000000 0.000000 11.290000 0.000000 0.000000 0.000000
3 5.015000 0.000000 0.000000 0.000000 11.285000 0.000000 0.000000 0.000000
4 5.020000 0.000000 0.000000 0.000000 11.280000 0.000000 0.000000 0.000000
5 5.025000 0.000000 0.000000 0.000000 11.275000 0.000000 0.000000 0.000000
6 5.030000 0.000000 0.000000 0.000000 11.270000 0.000000 0.000000 0.000000
7 5.035000 0.000000 0.000000 0.000000 11.265000 0.000000 0.000000 0.000000
8 5.040000 0.000000 0.000000 0.000000 11.260000 0.000000 0.000000 0.000000
9 5.045000 0.000000 0.000000 0.000000 11.255000 0.000000 0.000000 0.000000
10 5.050000 0.000000 0.000000 0.000000 11.250000 0.000000 0.000000 0.000000
11 5.055000 0.000000 0.000000 0.000000 11.245000 0.000000 0.000000 0.000000
12 5.060000 0.000000 0.000000 0.000000 11.240000 0.000000 0.000000 0.000000
13 5.065000 0.000000 0.000000 0.000000 11.235000 0.000000 0.000000 0.000000
14 5.070000 0.000000 0.000000 0.000000 11.230000 0.000000 0.000000 0.000000
15 5.075000 0.000000 0.000000 0.000000 11.225000 0.000000 0.000000 0.000000
16 5.080000 0.000000 0.000000 0.000000 11.220000 0.000000 0.000000 0.000000
17 5.085000 0.000000 0.000000 0.000000 11.215000 0.000000 0.000000 0.000000
18 5.090000 0.000000 0.000000 0.000000 11.210000 0.000000 0.000000 0.000000
19 5.095000 0.000000 0.000000 0.000000 11.205000 0.000000 0.000000 0.000000
20 5.100000 0.000000 0.000000 0.000000 11.200000 0.000000 0.000000 0.000000
21 5.105000 0.000000 0.000000 0.000000 11.195000 0.000000 0.000000 0.000000
22 5.110000 0.000000 0.000000 0.000000 11.190000 0.000000 0.000000 0.000000
23 5.115000 0.000000 0.000000 0.000000 11.185000 0.000000 0.000000 0.000000
24 5.120000 0.000000 0.000000 0.000000 11.180000 0.000000 0.000000 0.000000
25 5.125000 0.000000 0.000000 0.000000 11.175000 0.000000 0.000000 0.000000
26 5.130000 0.000000 0.000000 0.000000 11.170000 0.000000 0.000000 0.000000
27 5.135000 0.000000 0.000000 0.000000 11.165000 0.000000 0.000000 0.000000
28 5.140000 0.000000 0.000000 0.000000 11.160000 0.000000 0.000000 0.000000
29 5.145000 0.000000 0.000000 0.000000 11.155000 0.000000 0.000000 0.000000
30 5.150000 0.000000 0.000000 0.000000 11.150000 0.000000 0.000000 0.000000
31 5.155000 0.000000 0.000000 0.000000 11.145000 0.000000 0.000000 0.000000
32 5.160000 0.000000 0.000000 0.000000 11.140000 0.000000 0.000000 0.000000
33 5.165000 0.000000 0.000000 0.000000 11.135000 0.000000 0.000000 0.000000
34 5.170000 0.000000 0.000000 0.000000 11.130000 0.000000 0.000000 0.000000
35 5.175000 0.000000 0.000000 0.000000 11.125000 0.000000 0.000000 0.000000
36 5.180000 0.000000 0.000000 0.000000 11.120000 0.000000 0.000000 0.000000
37 5.185000 0.000000 0.000000 0.000000 11.115000 0.000000 0.000000 0.000000
38 5.190000 0.000000 0.000000 0.000000 11.110000 0.000000 0.000000 0.000000
39 5.195000 0.000000 0.000000 0.000000 11.105000 0.000000 0.000000 0.000000
40 5.200000 0.000000 0.000000 0.000000 11.100000 0.000000 0.000000 0.000000
41 5.205000 0.000000 0.000000 0.000000 11.095000 0.000000 0.000000 0.000000
42 5.210000 0.000000 0.000000 0.000000 11.090000 0.000000 0.000000 0.000000
43 5.215000 0.000000 0.000000 0.000000 11.085000 0.000000 0.000000 0.000000
44 5.220000 0.000000 0.000000 0.000000 11.080000 0.000000 0.000000 0.000000
45 5.225000 0.000000 0.000000 0.000000 11.075000 0.000000 0.000000 0.000000
46 5.230000 0.000000 0.000000 0.000000 11.070000 0.000000 0.000000 0.000000
47 5.235000 0.000000 0.000000 0.000000 11.065000 0.000000 0.000000 0.000000
48 5.240000 0.000000 0.000000 0.000000 11.060000 0.000000 0.000000 0.000000
49 5.245000 0.000000 0.000000 0.000000 11.055000 0.000000 0.000000 0.000000
50 5.250000 0.000000 0.000000 0.000000 11.050000 0.000000 0.000000 0.000000
51 5.255000 0.000000 0.000000 0.000000 11.045000 0.000000 0.000000 0.000000
52 5.260000 0.000000 0.000000 0.000000 11.040000 0.000000 0.000000 0.000000
53 5.265000 0.000000 0.000000 0.000000 11.035000 0.000000 0.000000 0.000000
54 5.270000 0.000000 0.000000 0.000000 11.030000 0.000000 0.000000 0.000000
55 5.275000 0.000000 0.000000 0.000000 11.025000 0.000000 0.000000 0.000000
56 5.280000 0.000000 0.000000 0.000000 11.020000 0.000000 0.000000 0.000000
57 5.285000 0.000000 0.000000 0.000000 11.015000 0.000000 0.000000 0.000000
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59 5.295000 0.000000 0.000000 0.000000 11.005000 0.000000 0.000000 0.000000
60 5.300000 0.000000 0.000000 0.000000 11.000000 0.000000 0.000000 0.000000
61 5.305000 0.000000 0.000000 0.000000 10.995000 0.000000 0.000000 0.000000
62 5.310000 0.000000 0.000000 0.000000 10.990000 0.000000 0.000000 0.000000
63 5.315000 0.000000 0.000000 0.000000 10.985000 0.000000 0.000000 0.000000
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65 5.325000 0.000000 0.000000 0.000000 10.975000 0.000000 0.000000 0.000000
66 5.330000 0.000000 0.000000 0.000000 10.970000 0.000000 0.000000 0.000000
67 5.335000 0.000000 0.000000 0.000000 10.965000 0.000000 0.000000 0.000000
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103 5.515000 0.000000 0.000000 0.000000 10.785000 0.000000 0.000000 0.000000
104 5.520000 0.000000 0.000000 0.000000 10.780000 0.000000 0.000000 0.000000
105 5.525000 0.000000 0.000000 0.000000 10.775000 0.000000 0.000000 0.000000
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122 5.610000 0.000000 0.000000 0.000000 10.690000 0.000000 0.000000 0.000000
123 5.615000 0.000000 0.000000 0.000000 10.685000 0.000000 0.000000 0.000000
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127 5.635000 0.000000 0.000000 0.000000 10.665000 0.000000 0.000000 0.000000
128 5.640000 0.000000 0.000000 0.000000 10.660000 0.000000 0.000000 0.000000
129 5.645000 0.000000 0.000000 0.000000 10.655000 0.000000 0.000000 0.000000
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131 5.655000 0.000000 0.000000 0.000000 10.645000 0.000000 0.000000 0.000000
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134 5.670000 0.000000 0.000000 0.000000 10.630000 0.000000 0.000000 0.000000
135 5.675000 0.000000 0.000000 0.000000 10.625000 0.000000 0.000000 0.000000
136 5.680000 0.000000 0.000000 0.000000 10.620000 0.000000 0.000000 0.000000
137 5.685000 0.000000 0.000000 0.000000 10.615000 0.000000 0.000000 0.000000
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139 5.695000 0.000000 0.000000 0.000000 10.605000 0.000000 0.000000 0.000000
140 5.700000 0.000000 0.000000 0.000000 10.600000 0.000000 0.000000 0.000000
141 5.705000 0.000000 0.000000 0.000000 10.595000 0.000000 0.000000 0.000000
142 5.710000 0.000000 0.000000 0.000000 10.590000 0.000000 0.000000 0.000000
143 5.715000 0.000000 0.000000 0.000000 10.585000 0.000000 0.000000 0.000000
144 5.720000 0.000000 0.000000 0.000000 10.580000 0.000000 0.000000 0.000000
145 5.725000 0.000000 0.000000 0.000000 10.575000 0.000000 0.000000 -0.000144
146 5.730000 0.000000 0.000000 0.000000 10.570000 0.000000 0.000000 -0.001514
147 5.735000 0.000000 0.000000 0.000000 10.565000 0.000000 0.000000 -0.004457
148 5.740000 0.000000 0.000000 0.000000 10.560000 0.000000 0.000000 -0.009112
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183 5.915000 0.000000 0.000000 0.000000 10.385000 0.000000 0.000000 -0.137263
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200 6.000000 0.000000 0.000000 0.000000 10.300000 0.000000 0.000000 -0.048719
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