./Job.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
[Sun Sep 29 20:28:58 CST 2024] [MD] [warn] 'Starting MedeA Core 3.8.1'
Opening the database
Sucessfully opened MedeA database from /home/user/MD/Databases/MedeA.db
Nudged Elastic Band for mapping the minimum energy path between
the initial system Untitled
and the final system Untitled
with 9 intermediate images and a spring constant of 0.1 eV/Ang^2.
The initial images are created from linear interpolation.
Optimization parameters for the first step:
Convergence: 0.25 eV/Ang
Number of steps: 300
Diagonal elements of the inverse Hessian are initially set to 0.001 Ang^2/eV.
------------------------------------------------------------------------
VASP parameters
===============
This is a calculation based on density functional theory and the GGA-PBE exchange-correlation functional for describing the interactions.
Since no magnetic moments are in the model, this is a non-magnetic calculation using 'normal' precision
and a default planewave cutoff energy of 400.000 eV.
The electronic iterations convergence is 1.00E-05 eV using the Normal (blocked Davidson) algorithm
and real space projection operators.
The requested k-spacing is 0.5 per Angstrom, which leads to a 2x2x2 mesh.
This corresponds to actual k-spacings of 0.314 x 0.314 x 0.314 per Angstrom.
The k-mesh is forced to be centered on the gamma point.
Using first order Methfessel-Paxton smearing with a width of 0.2 eV.
Other non-default parameters:
VASP version is for GPUs
Maximum iterations is 200
==========================================
Using version 4.0 GGA-PBE / PAW potentials:
O PAW_PBE O 08Apr2002
Si PAW_PBE Si 05Jan2001
H PAW_PBE H 15Jun2001
VASP energy of initial and final boundary images in kJ/mol per cell:
Image Energy (kJ/mol)
------------------- -----------------------
neb0_image00 -8725.182
neb0_image10 -8816.254
Total and image energies below are given with respect to the energy of the initial boundary image in kJ/mol per cell
Iter Energy_total max grad image01 image02 image03 image04 image05 image06 image07 image08 image09 Iter_accepted
---- ------------ --------- ------------ ------------ ------------ ------------ ------------ ------------ ------------ ------------ ------------ -------------
1 2958.39 8.51252 38.268 166.154 368.297 561.627 643.157 578.406 409.114 194.774 -1.407
2 2882.79 8.13423 36.660 158.470 355.971 550.518 633.632 568.600 399.155 185.966 -6.184 1
3 2013.93 6.86367 28.097 112.791 208.904 408.129 539.398 466.608 266.340 52.285 -68.623 2
4 1964.60 7.93582 28.354 116.976 206.414 395.690 534.130 459.646 253.696 40.143 -70.445 3
5 1754.75 9.63349 24.751 101.326 226.596 344.022 506.202 422.071 194.536 -0.551 -64.205 4
6 1590.94 11.87069 20.599 73.950 226.704 316.073 480.201 388.704 152.628 -12.693 -55.226 5
7 1406.77 6.24519 22.521 81.171 168.659 292.396 450.534 352.751 114.185 -16.371 -59.077 6
8 1355.13 5.95744 25.473 97.736 148.489 283.335 440.546 340.714 102.733 -18.203 -65.691 7
9 1308.94 6.69677 26.317 104.735 141.074 275.520 430.901 328.154 92.171 -19.319 -70.607 8
10 1213.67 6.50167 23.550 96.933 142.864 261.224 410.649 300.272 75.415 -21.229 -76.012 9
11 1103.56 6.04583 16.927 66.110 155.406 245.348 385.481 265.948 69.204 -25.331 -75.535 10
12 1011.15 6.62443 15.603 49.165 152.095 229.418 362.034 235.793 71.931 -32.711 -72.181 11
13 969.44 5.67903 19.124 62.625 130.672 222.230 353.027 225.361 66.492 -36.331 -73.764 12
14 932.53 6.94540 19.572 68.891 112.382 218.553 346.521 218.075 62.223 -36.855 -76.832 13
15 862.46 6.35767 17.034 63.022 100.758 209.572 333.102 204.225 53.369 -39.032 -79.592 14
16 781.13 5.41955 13.510 47.315 105.779 194.466 312.494 186.235 45.463 -43.713 -80.422 15
17 704.86 5.68261 11.368 33.549 98.443 184.161 291.251 178.838 34.878 -47.375 -80.251 16
18 675.90 3.62912 11.723 33.141 85.227 183.252 283.997 177.151 28.438 -47.301 -79.727 17
19 655.64 3.28363 12.406 36.095 77.556 177.811 278.501 176.047 25.316 -48.069 -80.020 18
20 621.39 3.48183 13.090 40.776 72.028 165.437 269.960 171.333 19.613 -49.678 -81.165 19
21 570.54 3.94727 12.263 40.629 71.277 146.942 256.288 165.248 13.711 -52.816 -83.007 20
22 512.70 3.73203 9.478 30.026 73.670 136.486 241.314 149.207 11.676 -55.553 -83.602 21
23 477.47 3.99156 8.240 21.595 69.143 135.099 232.053 139.320 11.570 -57.032 -82.516 22
24 457.51 3.89760 8.531 21.902 61.889 133.619 227.697 131.214 11.767 -57.556 -81.550 23
25 430.74 3.43873 8.586 23.743 53.516 128.374 223.650 124.891 7.531 -58.879 -80.673 24
26 386.72 3.06396 7.935 23.916 51.836 117.164 215.736 112.363 -0.358 -60.538 -81.331 25
27 336.77 3.83610 6.988 20.859 53.550 106.786 206.014 97.527 -9.400 -61.463 -84.092 26
28 302.37 2.40789 6.299 17.040 45.586 104.950 201.069 89.106 -13.130 -62.663 -85.885 27
29 292.56 2.16763 6.114 15.711 42.080 103.988 200.292 87.376 -13.523 -63.563 -85.913 28
30 283.35 1.93570 6.025 15.229 40.919 101.179 198.839 85.680 -14.057 -64.628 -85.831 29
31 263.52 1.65121 5.899 15.654 41.476 94.220 193.824 81.225 -16.205 -66.760 -85.807 30
32 236.28 2.70060 5.657 17.036 42.569 86.911 185.102 74.050 -20.661 -68.337 -86.046 31
33 211.27 2.45167 5.241 16.990 39.362 84.314 177.672 67.280 -25.465 -67.749 -86.376 32
34 196.87 1.94617 4.915 15.031 35.063 83.591 175.291 64.394 -27.649 -67.170 -86.600 33
35 188.79 1.78451 4.784 13.418 33.777 82.603 174.375 62.975 -28.219 -68.064 -86.864 34
36 179.34 1.42535 4.712 12.602 34.132 80.618 172.503 60.521 -29.136 -69.473 -87.139 35
37 162.56 2.13237 4.587 13.025 35.193 77.192 167.781 54.656 -31.239 -71.354 -87.280 36
38 140.37 2.30734 4.205 13.691 34.089 73.876 161.564 46.740 -34.085 -72.746 -86.967 37
39 125.66 1.52585 3.775 11.856 30.870 73.421 158.673 42.883 -35.329 -73.512 -86.975 38
40 119.67 1.21956 3.640 10.437 29.474 73.397 157.832 41.911 -35.743 -73.921 -87.363 39
41 114.86 1.18501 3.589 9.814 29.170 72.682 156.784 41.151 -36.355 -74.209 -87.763 40
42 106.09 1.36903 3.493 9.662 29.489 70.438 154.318 39.176 -37.753 -74.603 -88.131 41
43 92.14 2.09430 3.273 10.166 29.614 66.316 150.579 35.286 -40.067 -75.051 -87.980 42
44 76.78 2.01621 2.961 10.215 27.261 62.396 147.920 31.180 -42.397 -75.423 -87.337 43
45 67.15 1.17476 2.791 9.020 23.964 61.128 147.352 29.328 -43.566 -75.598 -87.266 44
46 62.66 1.17823 2.759 8.128 22.740 60.845 146.888 28.696 -44.034 -75.659 -87.703 45
47 59.38 1.12847 2.736 7.860 22.681 60.297 146.012 28.092 -44.407 -75.802 -88.091 46
48 53.01 1.23110 2.637 7.986 23.115 58.553 144.005 26.615 -45.191 -76.237 -88.477 47
49 44.04 1.63105 2.451 8.267 23.041 55.703 141.611 24.582 -46.315 -76.814 -88.491 48
50 36.14 1.15961 2.349 7.781 21.449 53.363 140.368 23.316 -47.222 -76.909 -88.360 49
51 32.92 0.61438 2.366 7.251 20.454 52.567 140.008 22.983 -47.537 -76.733 -88.440 50
52 31.62 0.57514 2.369 7.110 20.283 52.278 139.678 22.784 -47.638 -76.731 -88.509 51
53 29.58 0.53062 2.333 7.165 20.346 51.765 138.953 22.342 -47.886 -76.869 -88.565 52
54 26.15 0.98076 2.242 7.467 20.580 50.843 137.655 21.547 -48.379 -77.213 -88.588 53
55 21.61 1.14337 2.184 7.685 20.423 49.695 136.158 20.670 -49.055 -77.579 -88.569 54
56 18.21 0.79841 2.262 7.374 19.592 49.035 135.275 20.276 -49.447 -77.638 -88.521 55
57 16.38 0.54345 2.328 7.053 19.018 48.747 134.816 20.112 -49.622 -77.602 -88.474 56
58 15.15 0.53625 2.308 6.982 18.856 48.486 134.447 19.941 -49.784 -77.621 -88.463 57
59 12.99 0.62318 2.202 7.165 18.865 47.848 133.771 19.522 -50.170 -77.724 -88.491 58
60 9.38 1.09141 2.074 7.630 18.954 46.640 132.743 18.784 -50.897 -77.956 -88.593 59
61 5.08 1.16675 2.185 7.704 18.571 45.288 131.791 18.175 -51.717 -78.222 -88.696 60
62 2.18 0.77070 2.428 7.133 17.787 44.604 131.313 18.053 -52.169 -78.325 -88.647 61
63 0.71 0.71347 2.453 6.773 17.364 44.319 131.034 17.985 -52.342 -78.327 -88.551 62
64 -0.72 0.60741 2.322 6.666 17.198 43.977 130.647 17.774 -52.485 -78.339 -88.482 63
65 -3.27 0.56447 2.069 6.877 17.240 43.244 129.826 17.184 -52.815 -78.427 -88.471 64
66 -6.68 0.93218 2.002 7.311 17.312 42.254 128.675 16.349 -53.386 -78.602 -88.598 65
67 -9.68 0.90610 2.250 7.259 16.913 41.649 127.871 15.823 -54.004 -78.723 -88.714 66
68 -11.37 0.76966 2.388 6.827 16.399 41.450 127.586 15.702 -54.320 -78.714 -88.691 67
69 -12.44 0.69647 2.301 6.578 16.206 41.365 127.429 15.563 -54.522 -78.711 -88.645 68
70 -13.89 0.56128 2.097 6.532 16.107 41.115 127.066 15.313 -54.758 -78.750 -88.613 69
71 -16.40 0.81520 1.907 6.831 15.931 40.570 126.310 14.779 -55.190 -78.903 -88.632 70
72 -19.32 0.96658 2.016 7.032 15.310 39.948 125.523 14.245 -55.568 -79.141 -88.682 71
73 -21.18 0.68411 2.233 6.646 14.603 39.665 125.276 14.028 -55.694 -79.276 -88.660 72
74 -22.00 0.61460 2.193 6.348 14.400 39.558 125.214 13.942 -55.728 -79.297 -88.631 73
75 -22.93 0.53354 2.042 6.266 14.402 39.345 125.031 13.759 -55.830 -79.323 -88.626 74
76 -24.50 0.63559 1.855 6.410 14.438 38.862 124.579 13.427 -56.049 -79.380 -88.646 75
77 -27.18 0.83364 1.835 6.706 14.211 38.006 123.866 12.898 -56.489 -79.517 -88.692 76
78 -29.92 0.81585 2.039 6.600 13.553 37.232 123.486 12.511 -56.950 -79.685 -88.710 77
79 -31.58 0.65021 2.049 6.162 13.165 36.880 123.544 12.313 -57.196 -79.803 -88.693 78
80 -32.36 0.49907 1.910 5.998 13.170 36.734 123.543 12.149 -57.301 -79.868 -88.695 79
81 -33.17 0.59923 1.777 6.032 13.194 36.558 123.429 11.912 -57.425 -79.939 -88.712 80
82 -34.83 0.75283 1.684 6.277 13.061 36.193 123.101 11.392 -57.718 -80.075 -88.742 81
83 -37.25 0.92867 1.860 6.455 12.522 35.794 122.663 10.658 -58.179 -80.257 -88.766 82
84 -39.54 0.81720 2.189 6.091 11.883 35.643 122.371 9.992 -58.522 -80.402 -88.789 83
85 -40.79 0.79152 2.129 5.731 11.764 35.605 122.216 9.641 -58.590 -80.474 -88.810 84
86 -41.65 0.58991 1.865 5.681 11.860 35.490 122.063 9.388 -58.637 -80.534 -88.829 85
87 -42.76 0.73836 1.595 5.819 11.931 35.247 121.796 9.038 -58.731 -80.611 -88.842 86
88 -44.57 0.73581 1.539 6.008 11.700 34.871 121.421 8.462 -58.998 -80.727 -88.843 87
89 -46.78 0.69346 1.741 5.902 11.096 34.513 121.190 7.862 -59.364 -80.873 -88.843 88
90 -48.41 0.62190 1.732 5.551 10.752 34.319 121.238 7.504 -59.638 -81.009 -88.859 89
91 -49.17 0.45035 1.576 5.426 10.776 34.233 121.257 7.293 -59.760 -81.099 -88.871 90
92 -49.88 0.61222 1.460 5.465 10.807 34.120 121.180 7.030 -59.884 -81.176 -88.879 91
93 -51.16 0.72379 1.388 5.671 10.761 33.953 120.938 6.466 -60.129 -81.317 -88.890 92
94 -53.19 0.87728 1.482 5.852 10.474 33.794 120.557 5.589 -60.540 -81.510 -88.889 93
95 -55.08 0.69988 1.590 5.594 10.128 33.934 120.286 4.852 -60.958 -81.652 -88.857 94
96 -56.28 0.50266 1.468 5.266 10.046 34.048 120.208 4.477 -61.229 -81.728 -88.835 95
97 -56.79 0.52082 1.327 5.209 10.120 34.107 120.048 4.331 -61.331 -81.757 -88.845 96
98 -57.56 0.54786 1.267 5.294 10.170 34.009 119.828 4.043 -61.475 -81.825 -88.871 97
99 -58.95 0.64924 1.330 5.481 10.114 33.903 119.379 3.433 -61.730 -81.949 -88.907 98
100 -61.63 0.80652 1.467 5.560 9.773 33.726 118.908 2.239 -62.220 -82.158 -88.926 99
101 -64.60 0.61705 1.377 5.205 9.303 33.844 118.773 0.868 -62.703 -82.345 -88.925 100
102 -66.51 0.49679 1.168 4.851 9.106 33.986 118.996 -0.100 -63.110 -82.457 -88.953 101
103 -67.44 0.47514 1.085 4.784 9.075 34.067 119.071 -0.656 -63.347 -82.538 -88.980 102
104 -68.63 0.48898 1.084 4.859 9.025 33.988 119.104 -1.362 -63.688 -82.637 -89.000 103
105 -70.77 0.81326 1.217 5.107 8.903 33.785 118.956 -2.672 -64.252 -82.815 -88.998 104
106 -73.89 0.97721 1.389 5.188 8.614 33.474 118.749 -4.311 -65.003 -83.024 -88.963 105
107 -76.40 0.69812 1.248 4.750 8.404 33.547 118.466 -5.214 -65.511 -83.130 -88.963 106
108 -77.40 0.52321 0.980 4.402 8.394 33.603 118.202 -5.150 -65.683 -83.117 -89.035 107
109 -77.55 0.50561 0.924 4.375 8.462 33.519 117.877 -4.876 -65.675 -83.074 -89.083 108
110 -77.99 0.47050 0.968 4.438 8.461 33.327 117.581 -4.822 -65.758 -83.078 -89.101 109
111 -78.98 0.54233 1.088 4.583 8.431 33.039 116.943 -4.883 -65.981 -83.118 -89.087 110
112 -81.58 0.61689 1.101 4.576 8.206 32.728 116.423 -5.578 -66.703 -83.293 -89.036 111
113 -84.71 0.58763 0.917 4.288 7.945 32.630 116.310 -6.643 -67.653 -83.492 -89.014 112
114 -87.15 0.63996 0.787 4.086 7.791 32.575 116.517 -7.768 -68.453 -83.628 -89.055 113
115 -88.84 0.60615 0.761 4.040 7.718 32.519 116.563 -8.667 -68.986 -83.688 -89.095 114
116 -91.24 0.53708 0.788 4.061 7.613 32.336 116.448 -9.884 -69.690 -83.784 -89.131 115
117 -94.69 0.55156 0.856 4.102 7.458 31.965 115.948 -11.294 -70.626 -83.972 -89.131 116
118 -97.89 0.62929 0.826 4.003 7.312 31.614 114.966 -11.867 -71.424 -84.226 -89.098 117
119 -99.32 0.88885 0.672 3.817 7.280 31.538 114.021 -11.457 -71.706 -84.358 -89.130 118
120 -98.84 0.82294 0.625 3.767 7.338 31.591 113.477 -10.731 -71.475 -84.262 -89.173 119
121 -98.57 0.66168 0.642 3.783 7.373 31.522 113.268 -10.473 -71.312 -84.179 -89.192 120
122 -98.45 0.37951 0.674 3.815 7.414 31.383 112.933 -10.197 -71.174 -84.101 -89.200 121
123 -99.40 0.30563 0.678 3.809 7.414 31.100 112.385 -10.108 -71.359 -84.121 -89.196 122
124 -102.15 0.60322 0.615 3.699 7.281 30.769 111.708 -10.512 -72.174 -84.345 -89.193 123
125 -105.86 0.83513 0.536 3.556 7.114 30.536 111.042 -11.529 -73.251 -84.631 -89.235 124
126 -108.86 0.74042 0.487 3.446 6.975 30.381 110.655 -12.736 -74.017 -84.797 -89.255 125
127 -111.50 0.56334 0.453 3.366 6.871 30.261 110.243 -13.866 -74.649 -84.916 -89.267 126
128 -113.63 0.43102 0.414 3.302 6.786 30.064 109.805 -14.647 -75.084 -84.999 -89.276 127
129 -118.14 0.41878 0.314 3.158 6.627 29.480 108.625 -15.911 -75.946 -85.190 -89.301 128
130 -120.48 0.53442 0.255 3.079 6.563 29.081 107.689 -16.050 -76.414 -85.349 -89.333 129
131 -122.00 0.61263 0.228 3.033 6.513 28.773 107.176 -16.080 -76.737 -85.534 -89.375 130
132 -121.47 0.67105 0.248 3.056 6.486 28.875 107.156 -15.646 -76.709 -85.555 -89.385 131
133 -122.27 0.67445 0.234 3.054 6.453 28.754 106.901 -15.876 -76.856 -85.551 -89.387 132
134 -123.21 0.57566 0.225 3.071 6.396 28.595 106.301 -15.919 -77.025 -85.480 -89.377 133
135 -127.75 0.45242 0.168 3.048 6.302 28.071 103.951 -16.695 -77.759 -85.476 -89.362 134
136 -136.40 0.70188 0.075 2.934 6.332 27.166 98.277 -17.826 -78.516 -85.531 -89.309 135
137 -140.85 0.83472 0.010 2.811 6.389 26.908 94.370 -17.835 -78.292 -85.940 -89.266 136
138 -144.42 0.74916 -0.031 2.694 6.579 26.559 91.709 -18.329 -78.111 -86.213 -89.281 137
139 -145.30 0.64198 -0.007 2.719 6.567 26.452 91.476 -18.678 -78.326 -86.191 -89.315 138
140 -148.85 0.58041 -0.019 2.777 6.749 25.840 88.802 -19.207 -78.113 -86.287 -89.394 139
141 -152.47 0.55523 -0.035 2.816 6.641 25.193 86.501 -19.674 -78.134 -86.297 -89.479 140
142 -162.16 0.62174 -0.088 2.804 6.307 23.463 77.855 -19.719 -77.262 -86.273 -89.245 141
143 -164.55 0.65771 -0.091 2.652 6.255 23.184 75.061 -19.233 -76.989 -86.319 -89.073 142
144 -166.43 0.73080 -0.067 2.645 6.385 23.044 71.046 -18.128 -76.064 -86.247 -89.046 143
145 -167.99 0.76432 -0.047 2.748 6.421 23.153 68.689 -17.716 -75.805 -86.239 -89.197 144
146 -170.69 0.87259 0.037 3.091 6.521 23.422 61.513 -15.937 -73.961 -85.954 -89.425 145
147 -175.33 0.95845 0.028 3.236 6.616 23.784 56.872 -16.331 -73.986 -86.035 -89.510 146
148 -181.42 1.07081 -0.003 3.155 6.530 23.840 48.805 -16.619 -72.424 -85.698 -89.007 147
149 -190.44 1.21403 -0.167 2.642 6.939 23.310 47.548 -21.271 -74.826 -86.396 -88.216 148
150 -193.69 1.23146 -0.160 2.575 6.922 22.570 45.252 -21.871 -73.937 -86.338 -88.704 149
151 -197.70 1.22774 -0.181 2.486 6.773 21.909 45.263 -22.654 -75.351 -86.588 -89.354 150
152 -199.50 1.12351 -0.212 2.444 6.907 21.640 43.598 -22.554 -75.338 -86.479 -89.502 151
153 -205.26 1.14457 -0.308 2.471 7.088 21.171 38.330 -22.571 -75.821 -86.109 -89.513 152
154 -210.75 1.13651 -0.315 2.692 7.074 21.127 33.137 -23.299 -75.849 -85.948 -89.373 153
155 -217.67 0.69401 -0.251 2.743 6.430 21.348 28.215 -24.284 -76.149 -86.420 -89.306 154
156 -220.97 0.74881 -0.240 2.553 6.193 21.344 26.355 -24.846 -76.051 -86.860 -89.413 155
157 -222.93 0.77064 -0.280 2.470 6.092 21.149 25.568 -25.291 -76.140 -86.998 -89.501 156
158 -225.21 0.73920 -0.349 2.544 6.014 20.851 24.464 -25.986 -76.185 -86.964 -89.597 157
159 -228.77 0.94260 -0.428 2.787 5.740 20.424 22.631 -26.923 -76.545 -86.773 -89.683 158
160 -233.64 0.92251 -0.453 2.970 5.339 19.913 20.077 -27.932 -77.304 -86.622 -89.630 159
161 -238.24 0.66896 -0.391 2.682 4.850 19.230 18.486 -28.354 -78.422 -86.953 -89.370 160
162 -240.48 0.76784 -0.360 2.385 4.611 18.557 17.859 -28.277 -78.628 -87.371 -89.253 161
163 -241.61 0.79164 -0.404 2.373 4.546 18.215 17.586 -28.278 -78.741 -87.556 -89.350 162
164 -242.68 0.74013 -0.486 2.476 4.405 18.045 16.972 -28.260 -78.695 -87.612 -89.526 163
165 -244.88 0.60441 -0.594 2.649 4.072 17.957 15.842 -28.584 -78.867 -87.590 -89.762 164
166 -247.39 0.47254 -0.635 2.620 3.812 17.913 14.549 -29.131 -79.158 -87.583 -89.776 165
167 -250.05 0.46246 -0.614 2.441 3.946 17.735 13.766 -30.483 -79.584 -87.689 -89.569 166
168 -251.52 0.42919 -0.624 2.390 4.017 17.464 13.705 -31.271 -79.815 -87.793 -89.599 167
169 -252.56 0.47027 -0.648 2.406 4.083 17.253 13.725 -32.024 -79.897 -87.784 -89.678 168
170 -253.79 0.51437 -0.681 2.410 3.966 17.057 13.666 -32.578 -80.070 -87.800 -89.761 169
171 -255.63 0.58837 -0.729 2.417 3.730 16.666 13.327 -33.343 -80.118 -87.767 -89.808 170
172 -257.58 0.48338 -0.737 2.427 3.578 16.325 12.731 -34.035 -80.285 -87.836 -89.745 171
173 -258.40 0.45877 -0.703 2.461 3.608 16.114 12.108 -34.055 -80.274 -87.944 -89.719 172
174 -258.52 0.56615 -0.656 2.493 3.671 16.090 11.743 -33.603 -80.427 -88.030 -89.796 173
175 -258.16 0.55366 -0.660 2.504 3.634 16.084 11.528 -33.049 -80.319 -88.033 -89.848 174
176 -257.72 0.50573 -0.674 2.527 3.553 16.005 11.418 -32.449 -80.234 -88.000 -89.870 175
177 -257.88 0.43206 -0.700 2.537 3.433 15.892 11.231 -32.197 -80.225 -87.982 -89.867 176
178 -258.39 0.38328 -0.751 2.579 3.267 15.408 10.819 -31.588 -80.296 -87.974 -89.860 177
179 -259.18 0.35960 -0.748 2.555 3.285 15.185 10.609 -31.558 -80.626 -88.003 -89.881 178
180 -260.32 0.40802 -0.731 2.540 3.317 14.930 10.471 -31.910 -80.919 -88.119 -89.900 179
181 -260.89 0.44298 -0.728 2.534 3.337 14.856 10.330 -32.046 -81.111 -88.146 -89.920 180
182 -261.56 0.42308 -0.740 2.534 3.300 14.794 10.096 -32.164 -81.256 -88.177 -89.945 181
183 -262.03 0.36887 -0.765 2.519 3.225 14.736 9.910 -32.119 -81.404 -88.188 -89.948 182
184 -262.17 0.40088 -0.808 2.498 3.070 14.662 9.659 -31.579 -81.593 -88.205 -89.874 183
185 -261.66 0.39622 -0.824 2.501 2.997 14.519 9.816 -31.038 -81.611 -88.213 -89.811 184
186 -260.95 0.33321 -0.825 2.511 2.960 14.413 10.186 -30.523 -81.609 -88.228 -89.837 185
187 -260.33 0.36079 -0.830 2.528 2.969 14.306 10.619 -30.249 -81.553 -88.230 -89.893 186
188 -259.20 0.43931 -0.840 2.567 3.076 14.107 11.364 -29.774 -81.524 -88.223 -89.956 187
189 -258.78 0.46226 -0.856 2.594 3.089 13.933 11.719 -29.530 -81.536 -88.223 -89.973 188
190 -258.00 0.51525 -0.904 2.651 3.029 13.538 12.212 -28.795 -81.671 -88.178 -89.887 189
191 -258.54 0.46968 -0.923 2.627 2.820 13.468 11.673 -28.373 -81.818 -88.170 -89.842 190
192 -259.39 0.45553 -0.923 2.596 2.778 13.441 10.707 -27.879 -82.035 -88.200 -89.876 191
193 -259.78 0.37512 -0.920 2.594 2.809 13.422 10.061 -27.409 -82.142 -88.265 -89.930 192
194 -259.72 0.42818 -0.926 2.601 2.827 13.320 9.776 -26.870 -82.204 -88.286 -89.956 193
195 -259.00 0.41981 -0.936 2.607 2.750 13.185 9.763 -25.913 -82.239 -88.254 -89.957 194
196 -256.99 0.51435 -0.945 2.632 2.596 12.994 10.238 -24.244 -82.220 -88.113 -89.926 195
197 -253.67 0.66252 -0.950 2.725 2.433 12.795 11.424 -22.238 -82.026 -87.956 -89.872 196
198 -248.33 0.69180 -0.947 2.974 2.420 12.603 13.654 -19.840 -81.486 -87.901 -89.802 197
199 -248.89 0.58564 -0.956 3.013 2.587 12.387 13.456 -20.034 -81.401 -88.103 -89.842 198
200 -250.69 0.67083 -0.986 2.901 2.536 12.141 13.326 -21.034 -81.461 -88.204 -89.906 199
201 -252.54 0.49121 -0.984 2.829 2.648 12.230 11.967 -21.383 -81.752 -88.169 -89.926 200
202 -254.55 0.40592 -0.999 2.764 2.515 12.269 10.903 -21.685 -82.134 -88.212 -89.968 201
203 -257.36 0.53465 -1.004 2.812 2.261 12.382 9.202 -22.087 -82.599 -88.348 -89.981 202
204 -257.05 0.34409 -1.025 2.735 2.157 12.233 9.212 -21.531 -82.451 -88.368 -90.008 203
205 -244.11 1.80344 -1.111 2.905 2.308 11.770 17.935 -18.102 -81.516 -88.262 -90.040
206 -253.01 0.94799 -1.071 2.717 2.101 11.943 11.789 -20.030 -82.074 -88.339 -90.043 204
207 -237.58 2.15043 -1.136 3.270 2.593 11.818 21.592 -16.415 -81.137 -88.148 -90.014
208 -247.62 1.44948 -1.105 2.858 2.197 11.809 15.200 -18.535 -81.723 -88.274 -90.046 205
209 -243.37 1.45231 -1.128 3.649 2.719 12.078 15.519 -16.688 -81.435 -88.064 -90.016 206
210 -240.52 1.50223 -1.138 3.639 3.035 12.008 16.762 -15.439 -81.273 -88.089 -90.021 207
211 -230.66 0.89931 -0.929 3.442 5.309 12.986 14.474 -8.303 -80.214 -87.996 -89.434 208
212 -242.13 0.53978 -1.096 3.007 2.995 12.059 12.470 -12.063 -81.515 -88.175 -89.814 209
213 -245.76 0.42643 -1.136 2.884 2.530 11.939 11.770 -13.602 -81.971 -88.239 -89.934 210
214 -247.89 0.33944 -1.151 2.811 2.207 11.885 11.056 -14.156 -82.339 -88.199 -90.006 211
215 -248.90 0.31860 -1.157 2.780 2.136 11.816 10.646 -14.382 -82.487 -88.229 -90.027 212
216 -252.12 0.35793 -1.150 2.776 2.077 11.690 9.187 -15.225 -82.992 -88.419 -90.063 213
217 -251.94 0.32606 -1.176 2.781 1.824 11.517 9.294 -14.721 -82.906 -88.469 -90.087 214
218 -239.29 1.23115 -1.226 2.887 3.310 11.358 14.533 -10.056 -81.912 -88.194 -89.992 215
219 -242.51 0.70921 -1.221 2.827 3.037 11.368 12.143 -10.344 -82.152 -88.163 -90.009 216
220 -248.68 0.82063 -1.172 2.729 1.880 11.325 10.383 -12.386 -82.933 -88.457 -90.053 217
221 -248.68 0.42903 -1.202 2.730 1.769 11.253 9.983 -11.777 -82.894 -88.471 -90.071 218
222 -227.77 2.22587 -1.279 2.952 3.914 11.447 21.323 -6.298 -81.662 -88.212 -89.955
223 -247.49 0.37991 -1.226 2.743 1.773 11.204 10.357 -11.035 -82.781 -88.451 -90.078 219
224 -230.67 1.95346 -1.289 2.921 3.471 11.392 19.199 -6.274 -81.848 -88.249 -89.988
225 -245.34 0.73284 -1.248 2.765 1.893 11.182 11.258 -10.070 -82.628 -88.420 -90.075 220
226 -219.77 2.55080 -1.294 3.040 4.989 11.650 25.235 -3.953 -81.389 -88.131 -89.914
227 -243.34 0.95810 -1.262 2.788 2.051 11.184 12.184 -9.314 -82.505 -88.393 -90.067 221
228 -231.55 1.76153 -1.297 2.925 3.389 11.389 18.043 -5.805 -81.937 -88.255 -90.002
229 -238.48 1.30752 -1.285 2.841 2.539 11.243 14.484 -7.664 -82.258 -88.334 -90.044 222
230 -234.77 1.47468 -1.297 2.895 3.028 11.276 16.013 -6.229 -82.132 -88.294 -90.031 223
231 -228.00 1.42484 -1.212 3.122 4.416 11.348 16.834 -2.241 -82.085 -88.154 -90.029 224
232 -229.38 1.28019 -1.074 3.149 3.735 11.139 14.248 0.038 -82.445 -88.107 -90.064 225
233 -230.97 0.55996 -1.120 2.992 2.242 10.972 12.625 2.147 -82.696 -88.079 -90.055 226
234 -232.89 0.53222 -1.196 2.953 1.941 10.874 11.927 1.694 -82.877 -88.136 -90.067 227
235 -235.85 0.43595 -1.280 2.889 1.885 10.709 11.102 0.327 -83.114 -88.272 -90.100 228
236 -238.68 0.46636 -1.308 2.825 1.872 10.571 10.007 -0.875 -83.273 -88.377 -90.124 229
237 -239.99 0.40567 -1.333 2.766 1.800 10.354 9.903 -1.491 -83.367 -88.474 -90.147 230
238 -237.64 0.47125 -1.347 2.816 1.737 10.205 10.104 0.627 -83.173 -88.473 -90.138 231
239 -214.20 1.64604 -1.321 3.195 3.038 10.801 18.424 11.217 -81.484 -88.050 -90.018
240 -232.65 0.71469 -1.355 2.897 1.871 10.202 11.487 3.611 -82.855 -88.391 -90.117 232
241 -218.58 1.08387 -1.341 3.027 2.556 10.709 14.934 11.884 -82.187 -88.088 -90.069
242 -227.12 0.88012 -1.358 2.944 2.102 10.343 12.631 7.226 -82.630 -88.275 -90.101 233
243 -226.57 0.85993 -1.362 2.847 2.157 10.452 11.271 9.307 -82.961 -88.180 -90.106 234
244 -227.55 0.78447 -1.365 2.792 2.206 10.394 10.254 9.940 -83.469 -88.179 -90.124 235
245 -227.08 0.48607 -1.370 2.893 2.185 10.323 10.268 10.762 -83.766 -88.230 -90.141 236
246 -229.01 0.44691 -1.388 2.968 2.069 10.167 9.644 10.004 -83.965 -88.356 -90.157 237
247 -229.25 0.47837 -1.416 2.871 1.978 9.969 9.219 10.992 -84.214 -88.481 -90.168 238
248 -226.94 0.42579 -1.420 2.712 1.748 9.794 9.214 14.114 -84.374 -88.549 -90.179 239
249 -222.71 0.49948 -1.379 2.732 1.749 9.773 9.310 18.257 -84.489 -88.500 -90.166 240
250 -220.15 0.46379 -1.360 2.753 1.863 9.804 9.267 20.717 -84.568 -88.471 -90.158 241
251 -218.14 0.40720 -1.351 2.749 1.986 9.838 9.197 22.698 -84.638 -88.464 -90.160 242
252 -216.18 0.47506 -1.350 2.753 2.091 9.849 9.172 24.674 -84.719 -88.480 -90.170 243
253 -213.69 0.52851 -1.348 2.813 2.182 9.798 9.147 27.248 -84.841 -88.508 -90.181 244
254 -211.62 0.45582 -1.333 2.916 2.139 9.583 9.059 29.650 -84.957 -88.514 -90.161 245
255 -211.07 0.36294 -1.298 2.920 1.927 9.256 8.800 30.948 -85.020 -88.487 -90.116 246
256 -211.75 0.43956 -1.275 2.813 1.776 9.048 8.608 30.972 -85.090 -88.488 -90.112 247
257 -213.33 0.48303 -1.281 2.744 1.726 8.980 8.401 29.969 -85.188 -88.533 -90.144 248
258 -215.63 0.44419 -1.308 2.718 1.687 8.982 8.074 28.294 -85.302 -88.597 -90.180 249
259 -217.66 0.36196 -1.336 2.691 1.628 9.001 7.726 26.856 -85.384 -88.647 -90.198 250
260 -219.13 0.35066 -1.363 2.639 1.548 9.016 7.266 26.106 -85.446 -88.688 -90.212 251
261 -218.05 0.38015 -1.375 2.620 1.517 9.002 7.219 27.413 -85.516 -88.700 -90.224 252
262 -211.77 0.44288 -1.384 2.743 1.697 9.029 7.436 33.230 -85.616 -88.679 -90.228 253
263 -204.55 0.56656 -1.374 2.802 1.971 9.052 8.171 39.287 -85.609 -88.643 -90.202 254
264 -198.57 0.49897 -1.363 2.690 2.020 9.059 9.123 44.225 -85.543 -88.628 -90.148 255
265 -196.93 0.49144 -1.360 2.546 1.811 8.993 9.417 45.889 -85.540 -88.588 -90.100 256
266 -194.04 0.49564 -1.339 2.534 1.803 8.887 9.920 48.309 -85.566 -88.511 -90.081 257
267 -192.60 0.50881 -1.312 2.614 1.873 8.732 10.142 49.411 -85.599 -88.384 -90.078 258
268 -192.77 0.54769 -1.296 2.770 2.003 8.526 9.875 49.524 -85.766 -88.274 -90.131 259
269 -190.44 0.62707 -1.272 2.923 2.104 8.481 9.686 51.789 -85.780 -88.185 -90.189 260
270 -185.02 0.52596 -1.232 2.929 2.124 8.649 10.259 56.003 -85.424 -88.181 -90.149 261
271 -180.81 0.62142 -1.196 2.900 2.139 8.857 10.657 59.247 -85.083 -88.244 -90.083 262
272 -175.77 0.67053 -1.173 2.922 2.198 8.955 11.235 63.429 -84.933 -88.311 -90.090 263
273 -169.96 0.73701 -1.140 3.077 2.306 9.174 12.161 67.637 -84.759 -88.305 -90.108 264
274 -167.43 0.74960 -1.144 3.104 2.310 9.226 12.375 70.047 -84.859 -88.324 -90.165 265
275 -153.45 0.70446 -1.058 3.358 2.606 9.358 14.077 81.134 -84.667 -88.115 -90.140 266
276 -156.09 0.57370 -0.998 3.464 2.672 9.316 13.403 78.791 -84.663 -88.053 -90.019 267
277 -154.40 0.62909 -0.902 3.374 2.588 8.982 13.266 80.637 -84.397 -87.933 -90.016 268
278 -161.37 0.67144 -0.926 3.303 2.346 8.834 11.908 75.867 -84.562 -88.023 -90.118 269
279 -164.08 0.63627 -0.982 3.172 2.226 8.737 11.356 74.410 -84.734 -88.101 -90.168 270
280 -166.36 0.52239 -1.117 2.894 2.094 8.528 10.482 74.293 -85.060 -88.248 -90.226 271
281 -161.06 0.46077 -1.153 2.880 2.281 8.415 10.657 79.269 -84.979 -88.225 -90.207 272
282 -149.21 0.69301 -1.096 3.107 2.737 8.392 11.923 88.378 -84.449 -88.034 -90.163 273
283 -145.53 0.67456 -1.066 3.113 2.817 8.490 12.565 90.882 -84.186 -87.972 -90.170 274
284 -140.69 0.54937 -1.001 3.124 2.966 8.657 13.392 93.950 -83.721 -87.894 -90.161 275
285 -141.83 0.52533 -0.992 3.033 2.958 8.745 13.560 92.530 -83.635 -87.875 -90.158 276
286 -139.57 0.49529 -0.944 3.004 3.105 8.746 14.025 93.702 -83.218 -87.830 -90.159 277
287 -137.22 0.65623 -0.894 2.873 3.500 8.670 14.546 94.339 -82.390 -87.691 -90.170 278
288 -135.77 0.70028 -0.899 2.813 3.569 8.599 14.444 95.338 -81.882 -87.609 -90.139 279
289 -134.29 0.52848 -0.904 3.001 3.256 8.649 13.850 97.260 -81.767 -87.590 -90.043 280
290 -132.77 0.56036 -0.889 3.216 2.988 8.671 13.441 99.375 -81.982 -87.570 -90.018 281
291 -133.44 0.63486 -0.874 3.333 2.748 8.637 12.919 100.047 -82.536 -87.672 -90.044 282
292 -131.07 0.61049 -0.841 3.314 2.801 8.618 12.973 102.471 -82.698 -87.632 -90.079 283
293 -133.21 0.59418 -0.828 3.105 2.799 8.557 12.873 101.259 -83.078 -87.788 -90.109 284
294 -131.38 0.73183 -0.807 2.820 3.007 8.512 13.512 102.074 -82.732 -87.703 -90.060 285
295 -132.54 0.69578 -0.788 2.913 3.080 8.394 13.560 99.880 -82.002 -87.567 -90.005 286
296 -128.62 0.67956 -0.717 3.326 3.404 8.300 13.956 100.941 -80.599 -87.251 -89.979 287
297 -128.62 0.72515 -0.709 3.391 3.548 8.251 14.028 100.119 -80.115 -87.132 -90.005 288
298 -125.84 0.66170 -0.695 3.296 3.625 8.251 14.375 101.941 -79.616 -86.992 -90.023 289
299 -125.49 0.50322 -0.735 2.938 3.493 8.243 14.640 102.596 -79.672 -86.954 -90.044 290
300 -121.56 0.50874 -0.761 2.702 3.537 8.265 15.094 105.803 -79.263 -86.899 -90.040 291
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!!!! WARNING MESSAGE !!!!
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The optimization did not converge in the number of iterations allowed!
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