element(s): ['Si'] AFLOW prototype label: A_mC164_15_e20f Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['25.5153', '0.59626185', '0.38807304', '85.6678', '0.5018589', '0.68877825', '0.96352682', '0.39618647', '0.85290647', '0.066655781', '0.19885487', '0.85161909', '0.93394953', '0.32543919', '0.90872025', '0.95961914', '0.50215183', '0.39194115', '0.3160815', '0.19689941', '0.45947298', '0.2475486', '0.3176402', '0.2268061', '0.13306616', '0.35835738', '0.74433636', '0.76915545', '0.24636872', '0.32359862', '0.22635453', '0.12155393', '0.30617288', '0.092719903', '0.23378721', '0.44585184', '0.099109512', '0.39907312', '0.76670646', '0.88208696', '0.40378522', '0.46313645', '0.74291846', '0.18744694', '0.52487726', '0.65186183', '0.50503416', '0.39433722', '0.67549036', '0.32193311', '0.43434955', '0.610825', '0.50714113', '0.55091352', '0.89443078', '0.35966828', '0.33102234', '0.78459971', '0.3807846', '0.36635198', '0.90960313', '0.26587063', '0.36114403', '0.039715317', '0.39377295'] model name: Sim_LAMMPS_Buckingham_CarreHorbachIspas_2008_SiO__SM_886641404623_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0.4981411 0.25 ] [0.31122175 0.96352682 0.60381353] [0.14709353 0.06665578 0.80114513] [0.14838091 0.93394953 0.67456081] [0.09127975 0.95961914 0.49784817] [0.60805885 0.3160815 0.80310059] [0.54052702 0.2475486 0.6823598 ] [0.7731939 0.13306616 0.64164262] [0.25566364 0.76915545 0.75363128] [0.67640138 0.22635453 0.87844607] [0.69382712 0.0927199 0.76621279] [0.55414816 0.09910951 0.60092688] [0.23329354 0.88208696 0.59621478] [0.53686355 0.74291846 0.81255306] [0.47512274 0.65186183 0.49496584] [0.60566278 0.67549036 0.67806689] [0.56565045 0.610825 0.49285887] [0.44908648 0.89443078 0.64033172] [0.66897766 0.78459971 0.6192154 ] [0.63364802 0.90960313 0.73412937] [0.63885597 0.03971532 0.60622705]] spacegroup = 15 cell = [[25.5153, 0, 0], [0, 15.2138, 0], [0.74797334784504, 0, 9.8735089563394]] ========================================= Step Time Energy fmax BFGS: 0 17:17:44 -3927.374942 30.4583 BFGS: 1 17:17:44 -3929.457767 30.4065 BFGS: 2 17:17:44 -3930.742789 30.3576 BFGS: 3 17:17:44 -3931.569148 30.3107 BFGS: 4 17:17:44 -3932.084818 30.2655 BFGS: 5 17:17:45 -3932.378398 30.2216 BFGS: 6 17:17:45 -3932.506629 30.1787 BFGS: 7 17:17:45 -3932.497477 30.1368 BFGS: 8 17:17:45 -3932.385696 30.0955 BFGS: 9 17:17:45 -3932.187823 30.0546 BFGS: 10 17:17:45 -3931.925103 30.0142 BFGS: 11 17:17:45 -3931.601322 29.9741 BFGS: 12 17:17:45 -3931.230348 29.9344 BFGS: 13 17:17:45 -3930.819935 29.8950 BFGS: 14 17:17:45 -3930.378603 29.8557 BFGS: 15 17:17:45 -3929.921149 29.8166 BFGS: 16 17:17:45 -3929.443560 29.7776 BFGS: 17 17:17:45 -3928.961113 29.7388 BFGS: 18 17:17:45 -3928.471621 29.7000 BFGS: 19 17:17:45 -3927.991444 29.6612 BFGS: 20 17:17:45 -3927.524159 29.6224 BFGS: 21 17:17:45 -3927.061217 29.5836 BFGS: 22 17:17:45 -3926.601820 29.5449 BFGS: 23 17:17:45 -3926.151874 29.5063 BFGS: 24 17:17:45 -3925.682981 29.4677 BFGS: 25 17:17:46 -3925.165896 29.4293 BFGS: 26 17:17:46 -3924.587296 29.3913 BFGS: 27 17:17:46 -3923.970849 29.3535 BFGS: 28 17:17:46 -3923.306452 29.3161 BFGS: 29 17:17:46 -3922.628021 29.2788 BFGS: 30 17:17:46 -3921.929825 29.2417 BFGS: 31 17:17:46 -3921.215971 29.2048 BFGS: 32 17:17:46 -3920.505507 29.1679 BFGS: 33 17:17:46 -3919.791237 29.1310 BFGS: 34 17:17:46 -3919.079158 29.0941 BFGS: 35 17:17:46 -3918.369692 29.0574 BFGS: 36 17:17:46 -3917.670332 29.0206 BFGS: 37 17:17:46 -3916.972117 28.9839 BFGS: 38 17:17:46 -3916.292355 28.9471 BFGS: 39 17:17:46 -3915.623466 28.9102 BFGS: 40 17:17:46 -3914.963865 28.8734 BFGS: 41 17:17:46 -3914.312836 28.8366 BFGS: 42 17:17:46 -3913.664968 28.7998 BFGS: 43 17:17:46 -3913.025800 28.7630 BFGS: 44 17:17:46 -3912.392561 28.7263 BFGS: 45 17:17:47 -3911.759622 28.6895 BFGS: 46 17:17:47 -3911.132595 28.6529 BFGS: 47 17:17:47 -3910.509866 28.6163 BFGS: 48 17:17:47 -3909.891783 28.5797 BFGS: 49 17:17:47 -3909.285106 28.5430 BFGS: 50 17:17:47 -3908.678536 28.5065 BFGS: 51 17:17:47 -3908.083210 28.4700 BFGS: 52 17:17:47 -3907.485298 28.4335 BFGS: 53 17:17:47 -3906.902689 28.3970 BFGS: 54 17:17:47 -3906.327438 28.3605 BFGS: 55 17:17:47 -3905.760385 28.3240 BFGS: 56 17:17:47 -3905.190510 28.2876 BFGS: 57 17:17:47 -3904.631869 28.2511 BFGS: 58 17:17:47 -3904.073395 28.2148 BFGS: 59 17:17:47 -3903.521633 28.1785 BFGS: 60 17:17:47 -3902.979667 28.1421 BFGS: 61 17:17:47 -3902.437663 28.1059 BFGS: 62 17:17:48 -3901.903928 28.0696 BFGS: 63 17:17:48 -3901.381170 28.0333 BFGS: 64 17:17:48 -3900.852944 27.9970 BFGS: 65 17:17:48 -3900.335580 27.9608 BFGS: 66 17:17:48 -3899.821029 27.9247 BFGS: 67 17:17:48 -3899.317633 27.8885 BFGS: 68 17:17:48 -3898.811343 27.8524 BFGS: 69 17:17:48 -3898.316159 27.8164 BFGS: 70 17:17:48 -3897.828948 27.7803 BFGS: 71 17:17:48 -3897.341904 27.7443 BFGS: 72 17:17:48 -3896.862999 27.7084 BFGS: 73 17:17:48 -3896.389995 27.6724 BFGS: 74 17:17:48 -3895.925134 27.6364 BFGS: 75 17:17:48 -3895.465941 27.6005 BFGS: 76 17:17:49 -3895.015184 27.5645 BFGS: 77 17:17:49 -3894.561820 27.5286 BFGS: 78 17:17:49 -3894.114274 27.4928 BFGS: 79 17:17:49 -3893.672488 27.4571 BFGS: 80 17:17:49 -3893.235008 27.4213 BFGS: 81 17:17:49 -3892.807310 27.3855 BFGS: 82 17:17:49 -3892.388360 27.3497 BFGS: 83 17:17:49 -3891.974636 27.3139 BFGS: 84 17:17:49 -3891.566824 27.2782 BFGS: 85 17:17:49 -3891.161780 27.2424 BFGS: 86 17:17:49 -3890.759797 27.2067 BFGS: 87 17:17:49 -3890.368689 27.1709 BFGS: 88 17:17:49 -3889.972553 27.1353 BFGS: 89 17:17:49 -3889.589910 27.0996 BFGS: 90 17:17:49 -3889.215713 27.0640 BFGS: 91 17:17:49 -3888.844465 27.0284 BFGS: 92 17:17:49 -3888.475921 26.9928 BFGS: 93 17:17:50 -3888.118628 26.9571 BFGS: 94 17:17:50 -3887.761399 26.9216 BFGS: 95 17:17:50 -3887.412323 26.8860 BFGS: 96 17:17:50 -3887.074432 26.8504 BFGS: 97 17:17:50 -3886.729622 26.8149 BFGS: 98 17:17:50 -3886.394645 26.7795 BFGS: 99 17:17:50 -3886.065279 26.7441 BFGS: 100 17:17:50 -3885.740973 26.7086 BFGS: 101 17:17:50 -3885.425528 26.6731 BFGS: 102 17:17:50 -3885.107047 26.6377 BFGS: 103 17:17:50 -3884.805076 26.6023 BFGS: 104 17:17:50 -3884.507410 26.5669 BFGS: 105 17:17:50 -3884.213898 26.5316 BFGS: 106 17:17:50 -3883.931597 26.4962 BFGS: 107 17:17:50 -3883.654545 26.4607 BFGS: 108 17:17:50 -3883.375227 26.4254 BFGS: 109 17:17:50 -3883.101300 26.3902 BFGS: 110 17:17:50 -3882.836026 26.3548 BFGS: 111 17:17:50 -3882.578844 26.3195 BFGS: 112 17:17:51 -3882.321972 26.2841 BFGS: 113 17:17:51 -3882.068883 25.7773 BFGS: 114 17:17:51 -3881.913110 25.7419 BFGS: 115 17:17:51 -3881.760232 26.1774 BFGS: 116 17:17:51 -3881.623744 26.1415 BFGS: 117 17:17:51 -3881.480901 25.6356 BFGS: 118 17:17:51 -3881.407788 25.5999 BFGS: 119 17:17:51 -3881.345656 26.0337 BFGS: 120 17:17:51 -3881.283538 25.5286 BFGS: 121 17:17:51 -3881.291141 25.4927 BFGS: 122 17:17:51 -3881.286315 25.4569 BFGS: 123 17:17:51 -3881.285727 25.8893 BFGS: 124 17:17:51 -3881.294456 25.3853 BFGS: 125 17:17:51 -3881.358031 25.3494 BFGS: 126 17:17:51 -3881.414643 25.3135 BFGS: 127 17:17:51 -3881.469613 25.2777 BFGS: 128 17:17:51 -3881.531930 25.2419 BFGS: 129 17:17:51 -3881.593365 25.2062 BFGS: 130 17:17:51 -3881.646788 25.1707 BFGS: 131 17:17:51 -3881.714002 25.1351 BFGS: 132 17:17:51 -3881.784655 25.0994 BFGS: 133 17:17:52 -3881.860154 25.0637 BFGS: 134 17:17:52 -3881.943836 25.0281 BFGS: 135 17:17:52 -3882.024460 24.9926 BFGS: 136 17:17:52 -3882.113595 24.9570 BFGS: 137 17:17:52 -3882.208260 24.9214 BFGS: 138 17:17:52 -3882.321439 25.5893 BFGS: 139 17:17:52 -3882.471258 25.5521 BFGS: 140 17:17:52 -3882.614923 24.8142 BFGS: 141 17:17:52 -3882.886242 24.7784 BFGS: 142 17:17:52 -3883.148497 25.4405 BFGS: 143 17:17:52 -3883.350378 24.7064 BFGS: 144 17:17:52 -3883.666062 24.6704 BFGS: 145 17:17:52 -3883.982781 25.3283 BFGS: 146 17:17:52 -3884.237560 25.2908 BFGS: 147 17:17:52 -3884.468216 24.5624 BFGS: 148 17:17:52 -3884.820956 24.5264 BFGS: 149 17:17:52 -3885.173303 24.4904 BFGS: 150 17:17:52 -3885.514139 24.4546 BFGS: 151 17:17:52 -3885.852961 24.4189 BFGS: 152 17:17:53 -3886.188255 24.3834 BFGS: 153 17:17:53 -3886.530360 25.0310 BFGS: 154 17:17:53 -3886.815433 24.3119 BFGS: 155 17:17:53 -3887.207448 24.2762 BFGS: 156 17:17:53 -3887.596193 24.2405 BFGS: 157 17:17:53 -3887.978139 24.2050 BFGS: 158 17:17:53 -3888.365262 24.1694 BFGS: 159 17:17:53 -3888.767025 24.8092 BFGS: 160 17:17:53 -3889.096115 24.0983 BFGS: 161 17:17:53 -3889.532246 24.0627 BFGS: 162 17:17:53 -3889.970260 24.0271 BFGS: 163 17:17:53 -3890.411077 23.9916 BFGS: 164 17:17:53 -3890.856717 24.6250 BFGS: 165 17:17:53 -3891.237700 23.9205 BFGS: 166 17:17:53 -3891.726995 23.8850 BFGS: 167 17:17:53 -3892.208891 23.8495 BFGS: 168 17:17:54 -3892.700768 23.8141 BFGS: 169 17:17:54 -3893.200014 23.7786 BFGS: 170 17:17:54 -3893.701939 23.7432 BFGS: 171 17:17:54 -3894.211648 23.7078 BFGS: 172 17:17:54 -3894.729589 23.6723 BFGS: 173 17:17:54 -3895.244769 23.6371 BFGS: 174 17:17:54 -3895.777549 24.2580 BFGS: 175 17:17:54 -3896.242320 23.5663 BFGS: 176 17:17:54 -3896.802344 23.5311 BFGS: 177 17:17:54 -3897.375544 23.4957 BFGS: 178 17:17:54 -3897.951061 23.4605 BFGS: 179 17:17:54 -3898.536985 23.4252 BFGS: 180 17:17:54 -3899.128211 23.3899 BFGS: 181 17:17:54 -3899.716388 23.3549 BFGS: 182 17:17:54 -3900.318157 23.3197 BFGS: 183 17:17:54 -3900.922372 23.2846 BFGS: 184 17:17:54 -3901.532124 23.2496 BFGS: 185 17:17:54 -3902.147067 23.2146 BFGS: 186 17:17:54 -3902.768451 23.8211 BFGS: 187 17:17:55 -3903.320124 23.1446 BFGS: 188 17:17:55 -3903.990657 23.7486 BFGS: 189 17:17:55 -3904.571846 23.0746 BFGS: 190 17:17:55 -3905.264445 23.0396 BFGS: 191 17:17:55 -3905.958441 23.0047 BFGS: 192 17:17:55 -3906.648492 22.9700 BFGS: 193 17:17:55 -3907.351118 22.9352 BFGS: 194 17:17:55 -3908.061041 22.9005 BFGS: 195 17:17:55 -3908.783896 22.8657 BFGS: 196 17:17:55 -3909.508418 22.8310 BFGS: 197 17:17:55 -3910.234890 22.7964 BFGS: 198 17:17:55 -3910.960386 22.7619 BFGS: 199 17:17:55 -3911.690496 22.7274 BFGS: 200 17:17:55 -3912.427849 22.6929 BFGS: 201 17:17:55 -3913.163262 22.6585 BFGS: 202 17:17:55 -3913.907442 22.6242 BFGS: 203 17:17:55 -3914.658667 22.5899 BFGS: 204 17:17:55 -3915.417570 22.5556 BFGS: 205 17:17:55 -3916.180666 22.5213 BFGS: 206 17:17:56 -3916.947177 22.4872 BFGS: 207 17:17:56 -3917.711534 22.4531 BFGS: 208 17:17:56 -3918.480082 22.4191 BFGS: 209 17:17:56 -3919.264575 22.3851 BFGS: 210 17:17:56 -3920.044840 22.3510 BFGS: 211 17:17:56 -3920.821698 22.3172 BFGS: 212 17:17:56 -3921.610084 22.2832 BFGS: 213 17:17:56 -3922.396873 22.2493 BFGS: 214 17:17:56 -3923.192416 22.2155 BFGS: 215 17:17:56 -3924.000645 22.1816 BFGS: 216 17:17:56 -3924.807552 22.1478 BFGS: 217 17:17:56 -3925.621472 22.1140 BFGS: 218 17:17:56 -3926.439686 22.0802 BFGS: 219 17:17:56 -3927.262139 22.0464 BFGS: 220 17:17:56 -3928.088498 22.0127 BFGS: 221 17:17:56 -3928.919237 21.9790 BFGS: 222 17:17:56 -3929.753686 21.9454 BFGS: 223 17:17:56 -3930.592338 21.9118 BFGS: 224 17:17:57 -3931.432028 21.8782 BFGS: 225 17:17:57 -3932.275662 21.8447 BFGS: 226 17:17:57 -3933.125723 21.8112 BFGS: 227 17:17:57 -3933.976706 21.7777 BFGS: 228 17:17:57 -3934.828779 21.7443 BFGS: 229 17:17:57 -3935.689766 21.7109 BFGS: 230 17:17:57 -3936.554213 21.6775 BFGS: 231 17:17:57 -3937.422036 21.6442 BFGS: 232 17:17:57 -3938.293424 21.6108 BFGS: 233 17:17:57 -3939.170460 21.5774 BFGS: 234 17:17:57 -3940.048025 21.5441 BFGS: 235 17:17:57 -3940.931349 21.5109 BFGS: 236 17:17:57 -3941.813568 21.4776 BFGS: 237 17:17:57 -3942.697132 21.4445 BFGS: 238 17:17:57 -3943.578239 21.4115 BFGS: 239 17:17:57 -3944.472885 21.3784 BFGS: 240 17:17:57 -3945.369963 21.3452 BFGS: 241 17:17:57 -3946.266942 21.3122 BFGS: 242 17:17:57 -3947.168956 21.2792 BFGS: 243 17:17:57 -3948.067946 21.2463 BFGS: 244 17:17:57 -3948.966300 21.2134 BFGS: 245 17:17:58 -3949.866912 21.1806 BFGS: 246 17:17:58 -3950.774821 21.1478 BFGS: 247 17:17:58 -3951.684703 21.1150 BFGS: 248 17:17:58 -3952.599352 21.0823 BFGS: 249 17:17:58 -3953.510101 21.0497 BFGS: 250 17:17:58 -3954.422511 21.0172 BFGS: 251 17:17:58 -3955.336495 20.9847 BFGS: 252 17:17:58 -3956.254787 20.9522 BFGS: 253 17:17:58 -3957.177083 20.9198 BFGS: 254 17:17:58 -3958.097932 20.8876 BFGS: 255 17:17:58 -3959.006474 20.8555 BFGS: 256 17:17:58 -3959.924658 20.8234 BFGS: 257 17:17:58 -3960.849276 20.7913 BFGS: 258 17:17:58 -3961.769578 20.7593 BFGS: 259 17:17:58 -3962.690866 20.7275 BFGS: 260 17:17:58 -3963.618364 20.6956 BFGS: 261 17:17:58 -3964.549759 20.6639 BFGS: 262 17:17:58 -3965.473469 20.6323 BFGS: 263 17:17:58 -3966.403497 20.6008 BFGS: 264 17:17:58 -3967.328585 20.5694 BFGS: 265 17:17:59 -3968.257070 20.5380 BFGS: 266 17:17:59 -3969.191359 20.5066 BFGS: 267 17:17:59 -3970.112453 20.4754 BFGS: 268 17:17:59 -3971.047617 20.4443 BFGS: 269 17:17:59 -3971.974848 20.4133 BFGS: 270 17:17:59 -3972.901978 20.3824 BFGS: 271 17:17:59 -3973.829370 20.3516 BFGS: 272 17:17:59 -3974.756696 20.3209 BFGS: 273 17:17:59 -3975.686718 20.2902 BFGS: 274 17:17:59 -3976.630138 20.2595 BFGS: 275 17:17:59 -3977.556799 20.2290 BFGS: 276 17:17:59 -3978.485757 20.1985 BFGS: 277 17:17:59 -3979.414313 20.1682 BFGS: 278 17:17:59 -3980.344686 20.1380 BFGS: 279 17:17:59 -3981.274155 20.1078 BFGS: 280 17:17:59 -3982.194417 20.0778 BFGS: 281 17:17:59 -3983.121955 20.0477 BFGS: 282 17:17:59 -3984.045250 20.0178 BFGS: 283 17:17:59 -3984.972702 19.9878 BFGS: 284 17:17:59 -3985.892764 19.9580 BFGS: 285 17:18:00 -3986.800300 19.9283 BFGS: 286 17:18:00 -3987.711574 19.8987 BFGS: 287 17:18:00 -3988.628879 19.8690 BFGS: 288 17:18:00 -3989.543771 19.8394 BFGS: 289 17:18:00 -3990.445360 19.8099 BFGS: 290 17:18:00 -3991.358180 19.7803 BFGS: 291 17:18:00 -3992.259950 19.7508 BFGS: 292 17:18:00 -3993.158852 19.7214 BFGS: 293 17:18:00 -3994.054581 19.6919 BFGS: 294 17:18:00 -3994.947131 19.6625 BFGS: 295 17:18:00 -3995.846852 19.6330 BFGS: 296 17:18:00 -3996.734681 19.6036 BFGS: 297 17:18:00 -3997.621828 19.5741 BFGS: 298 17:18:00 -3998.502202 19.5448 BFGS: 299 17:18:00 -3999.389380 19.5153 BFGS: 300 17:18:00 -4000.266395 19.4859 BFGS: 301 17:18:00 -4001.139346 19.4565 BFGS: 302 17:18:00 -4002.004640 19.4272 BFGS: 303 17:18:00 -4002.864653 19.3977 BFGS: 304 17:18:00 -4003.717113 19.3684 BFGS: 305 17:18:01 -4004.569642 19.3390 BFGS: 306 17:18:01 -4005.408358 19.3096 BFGS: 307 17:18:01 -4006.241126 19.2803 BFGS: 308 17:18:01 -4007.070724 19.2509 BFGS: 309 17:18:01 -4007.896989 19.2215 BFGS: 310 17:18:01 -4008.719594 19.1920 BFGS: 311 17:18:01 -4009.527301 19.1628 BFGS: 312 17:18:01 -4010.330984 19.1334 BFGS: 313 17:18:01 -4011.133043 19.1039 BFGS: 314 17:18:01 -4011.924939 19.0746 BFGS: 315 17:18:01 -4012.709398 19.0452 BFGS: 316 17:18:01 -4013.483168 19.0159 BFGS: 317 17:18:01 -4014.246236 18.9866 BFGS: 318 17:18:01 -4015.000433 18.9575 BFGS: 319 17:18:01 -4015.748824 18.9282 BFGS: 320 17:18:01 -4016.485443 18.8991 BFGS: 321 17:18:01 -4017.217818 18.8700 BFGS: 322 17:18:01 -4017.943122 18.8409 BFGS: 323 17:18:01 -4018.655541 18.8119 BFGS: 324 17:18:01 -4019.354453 18.7830 BFGS: 325 17:18:01 -4020.042323 18.7541 BFGS: 326 17:18:02 -4020.726658 18.7252 BFGS: 327 17:18:02 -4021.395898 18.6964 BFGS: 328 17:18:02 -4022.055144 18.6677 BFGS: 329 17:18:02 -4022.691441 18.6391 BFGS: 330 17:18:02 -4023.312682 18.6106 BFGS: 331 17:18:02 -4023.921631 18.7846 BFGS: 332 17:18:02 -4024.491143 18.7554 BFGS: 333 17:18:02 -4025.037001 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-2053.478472 0.2021 BFGS: 5239 17:22:12 -2053.411308 0.2020 BFGS: 5240 17:22:12 -2053.344278 0.2019 BFGS: 5241 17:22:12 -2053.277175 0.2018 BFGS: 5242 17:22:12 -2053.210022 0.2016 BFGS: 5243 17:22:12 -2053.142761 0.2015 BFGS: 5244 17:22:12 -2053.075410 0.2014 BFGS: 5245 17:22:12 -2053.007944 0.2013 BFGS: 5246 17:22:12 -2052.940384 0.2012 BFGS: 5247 17:22:12 -2052.870216 0.2011 BFGS: 5248 17:22:12 -2052.801601 0.2010 BFGS: 5249 17:22:12 -2052.733733 0.2009 BFGS: 5250 17:22:12 -2052.665613 0.2008 BFGS: 5251 17:22:12 -2052.597550 0.2007 BFGS: 5252 17:22:12 -2052.529323 0.2006 BFGS: 5253 17:22:12 -2052.461034 0.2005 BFGS: 5254 17:22:12 -2052.392618 0.2004 BFGS: 5255 17:22:12 -2052.324104 0.2003 BFGS: 5256 17:22:12 -2052.255475 0.2002 BFGS: 5257 17:22:13 -2052.186728 0.2001 BFGS: 5258 17:22:13 -2052.117871 0.2000 BFGS: 5259 17:22:13 -2052.048899 0.1999 BFGS: 5260 17:22:13 -2051.979805 0.1998 BFGS: 5261 17:22:13 -2051.910602 0.1997 BFGS: 5262 17:22:13 -2051.841286 0.1996 BFGS: 5263 17:22:13 -2051.771858 0.1996 BFGS: 5264 17:22:13 -2051.702294 0.1995 BFGS: 5265 17:22:13 -2051.632604 0.1994 BFGS: 5266 17:22:13 -2051.562800 0.1993 BFGS: 5267 17:22:13 -2051.492881 0.1992 BFGS: 5268 17:22:13 -2051.422839 0.1991 BFGS: 5269 17:22:13 -2051.352694 0.1990 BFGS: 5270 17:22:13 -2051.282426 0.1989 BFGS: 5271 17:22:13 -2051.212033 0.1988 BFGS: 5272 17:22:13 -2051.141514 0.1987 BFGS: 5273 17:22:13 -2051.070869 0.1986 BFGS: 5274 17:22:13 -2051.002617 0.1985 BFGS: 5275 17:22:13 -2050.930249 0.1984 BFGS: 5276 17:22:13 -2050.858478 0.1983 BFGS: 5277 17:22:14 -2050.786605 0.1982 BFGS: 5278 17:22:14 -2050.714759 0.1981 BFGS: 5279 17:22:14 -2050.642789 0.1980 BFGS: 5280 17:22:14 -2050.570734 0.1979 BFGS: 5281 17:22:14 -2050.498578 0.1978 BFGS: 5282 17:22:14 -2050.426324 0.1978 BFGS: 5283 17:22:14 -2050.353977 0.1977 BFGS: 5284 17:22:14 -2050.281520 0.1976 BFGS: 5285 17:22:14 -2050.208931 0.1975 BFGS: 5286 17:22:14 -2050.136235 0.1974 BFGS: 5287 17:22:14 -2050.063432 0.1973 BFGS: 5288 17:22:14 -2049.990532 0.1972 BFGS: 5289 17:22:14 -2049.917522 0.1971 BFGS: 5290 17:22:14 -2049.844398 0.1970 BFGS: 5291 17:22:14 -2049.771150 0.1970 BFGS: 5292 17:22:14 -2049.697796 0.1969 BFGS: 5293 17:22:14 -2049.624328 0.1968 BFGS: 5294 17:22:14 -2049.550734 0.1967 BFGS: 5295 17:22:14 -2049.477019 0.1966 BFGS: 5296 17:22:15 -2049.403175 0.1965 BFGS: 5297 17:22:15 -2049.329210 0.1964 BFGS: 5298 17:22:15 -2049.255114 0.1964 BFGS: 5299 17:22:15 -2049.180893 0.1963 BFGS: 5300 17:22:15 -2049.106546 0.1962 BFGS: 5301 17:22:15 -2049.029568 0.1961 BFGS: 5302 17:22:15 -2048.955337 0.1960 BFGS: 5303 17:22:15 -2048.880324 0.1959 BFGS: 5304 17:22:15 -2048.805413 0.1959 BFGS: 5305 17:22:15 -2048.727690 0.1958 BFGS: 5306 17:22:15 -2048.651989 0.1957 BFGS: 5307 17:22:15 -2048.576102 0.1956 BFGS: 5308 17:22:15 -2048.500206 0.1956 BFGS: 5309 17:22:15 -2048.424143 0.1955 BFGS: 5310 17:22:15 -2048.347974 0.1954 BFGS: 5311 17:22:15 -2048.271677 0.1953 BFGS: 5312 17:22:15 -2048.195264 0.1952 BFGS: 5313 17:22:15 -2048.118721 0.1952 BFGS: 5314 17:22:15 -2048.042060 0.1951 BFGS: 5315 17:22:15 -2047.965254 0.1950 BFGS: 5316 17:22:16 -2047.888316 0.1949 BFGS: 5317 17:22:16 -2047.811256 0.1948 BFGS: 5318 17:22:16 -2047.731557 0.1948 BFGS: 5319 17:22:16 -2047.653775 0.1947 BFGS: 5320 17:22:16 -2047.575813 0.1946 BFGS: 5321 17:22:16 -2047.497756 0.1946 BFGS: 5322 17:22:16 -2047.419596 0.1945 BFGS: 5323 17:22:16 -2047.341328 0.1944 BFGS: 5324 17:22:16 -2047.262930 0.1943 BFGS: 5325 17:22:16 -2047.181883 0.1943 BFGS: 5326 17:22:16 -2047.103247 0.1942 BFGS: 5327 17:22:16 -2047.024009 0.1941 BFGS: 5328 17:22:16 -2046.944898 0.1940 BFGS: 5329 17:22:16 -2046.865572 0.1940 BFGS: 5330 17:22:16 -2046.786131 0.1939 BFGS: 5331 17:22:16 -2046.706524 0.1938 BFGS: 5332 17:22:16 -2046.626782 0.1937 BFGS: 5333 17:22:16 -2046.546879 0.1937 BFGS: 5334 17:22:16 -2046.466835 0.1936 BFGS: 5335 17:22:16 -2046.386639 0.1935 BFGS: 5336 17:22:17 -2046.306278 0.1935 BFGS: 5337 17:22:17 -2046.225759 0.1934 BFGS: 5338 17:22:17 -2046.145084 0.1933 BFGS: 5339 17:22:17 -2046.064244 0.1932 BFGS: 5340 17:22:17 -2045.983235 0.1932 BFGS: 5341 17:22:17 -2045.902054 0.1931 BFGS: 5342 17:22:17 -2045.820708 0.1930 BFGS: 5343 17:22:17 -2045.739179 0.1930 BFGS: 5344 17:22:17 -2045.657462 0.1929 BFGS: 5345 17:22:17 -2045.578084 0.1928 BFGS: 5346 17:22:17 -2045.496725 0.1927 BFGS: 5347 17:22:17 -2045.414722 0.1927 BFGS: 5348 17:22:17 -2045.332316 0.1926 BFGS: 5349 17:22:17 -2045.249704 0.1925 BFGS: 5350 17:22:17 -2045.166852 0.1925 BFGS: 5351 17:22:17 -2045.083819 0.1924 BFGS: 5352 17:22:17 -2045.000584 0.1923 BFGS: 5353 17:22:17 -2044.917160 0.1923 BFGS: 5354 17:22:17 -2044.833516 0.1922 BFGS: 5355 17:22:18 -2044.749665 0.1921 BFGS: 5356 17:22:18 -2044.665604 0.1921 BFGS: 5357 17:22:18 -2044.581357 0.1920 BFGS: 5358 17:22:18 -2044.496918 0.1919 BFGS: 5359 17:22:18 -2044.412253 0.1919 BFGS: 5360 17:22:18 -2044.327353 0.1918 BFGS: 5361 17:22:18 -2044.242244 0.1917 BFGS: 5362 17:22:18 -2044.156918 0.1917 BFGS: 5363 17:22:18 -2044.071379 0.1916 BFGS: 5364 17:22:18 -2043.985623 0.1915 BFGS: 5365 17:22:18 -2043.899641 0.1915 BFGS: 5366 17:22:18 -2043.813434 0.1914 BFGS: 5367 17:22:18 -2043.726999 0.1913 BFGS: 5368 17:22:18 -2043.640315 0.1913 BFGS: 5369 17:22:18 -2043.553414 0.1912 BFGS: 5370 17:22:18 -2043.466290 0.1911 BFGS: 5371 17:22:18 -2043.378940 0.1910 BFGS: 5372 17:22:18 -2043.291357 0.1910 BFGS: 5373 17:22:18 -2043.201026 0.1909 BFGS: 5374 17:22:18 -2043.112975 0.1909 BFGS: 5375 17:22:19 -2043.024630 0.1908 BFGS: 5376 17:22:19 -2042.936095 0.1907 BFGS: 5377 17:22:19 -2042.844738 0.1907 BFGS: 5378 17:22:19 -2042.758629 0.1906 BFGS: 5379 17:22:19 -2042.670426 0.1905 BFGS: 5380 17:22:19 -2042.581552 0.1904 BFGS: 5381 17:22:19 -2042.492783 0.1904 BFGS: 5382 17:22:19 -2042.404087 0.1903 BFGS: 5383 17:22:19 -2042.315512 0.1902 BFGS: 5384 17:22:19 -2042.224599 0.1902 BFGS: 5385 17:22:19 -2042.135477 0.1901 BFGS: 5386 17:22:19 -2042.046905 0.1901 BFGS: 5387 17:22:19 -2041.958848 0.1900 BFGS: 5388 17:22:19 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-2039.929524 0.1887 BFGS: 5414 17:22:21 -2039.866769 0.1887 BFGS: 5415 17:22:21 -2039.804813 0.1887 BFGS: 5416 17:22:21 -2039.743536 0.1886 BFGS: 5417 17:22:21 -2039.682822 0.1886 BFGS: 5418 17:22:21 -2039.622577 0.1885 BFGS: 5419 17:22:21 -2039.565194 0.1885 BFGS: 5420 17:22:21 -2039.504244 0.1884 BFGS: 5421 17:22:21 -2039.443720 0.1884 BFGS: 5422 17:22:21 -2039.383536 0.1884 BFGS: 5423 17:22:21 -2039.323662 0.1883 BFGS: 5424 17:22:21 -2039.264022 0.1883 BFGS: 5425 17:22:21 -2039.204567 0.1883 BFGS: 5426 17:22:21 -2039.145271 0.1882 BFGS: 5427 17:22:21 -2039.086113 0.1882 BFGS: 5428 17:22:21 -2039.027059 0.1881 BFGS: 5429 17:22:21 -2038.968091 0.1881 BFGS: 5430 17:22:21 -2038.909182 0.1881 BFGS: 5431 17:22:21 -2038.850314 0.1880 BFGS: 5432 17:22:21 -2038.791486 0.1880 BFGS: 5433 17:22:21 -2038.732691 0.1880 BFGS: 5434 17:22:22 -2038.673908 0.1879 BFGS: 5435 17:22:22 -2038.615138 0.1879 BFGS: 5436 17:22:22 -2038.556385 0.1879 BFGS: 5437 17:22:22 -2038.497648 0.1878 BFGS: 5438 17:22:22 -2038.438915 0.1878 BFGS: 5439 17:22:22 -2038.380183 0.1878 BFGS: 5440 17:22:22 -2038.321447 0.1877 BFGS: 5441 17:22:22 -2038.262715 0.1877 BFGS: 5442 17:22:22 -2038.203982 0.1877 BFGS: 5443 17:22:22 -2038.145268 0.1876 BFGS: 5444 17:22:22 -2038.086567 0.1876 BFGS: 5445 17:22:22 -2038.027866 0.1876 BFGS: 5446 17:22:22 -2037.969161 0.1876 BFGS: 5447 17:22:22 -2037.910454 0.1875 BFGS: 5448 17:22:22 -2037.851758 0.1875 BFGS: 5449 17:22:22 -2037.793078 0.1875 BFGS: 5450 17:22:22 -2037.734406 0.1875 BFGS: 5451 17:22:22 -2037.675745 0.1874 BFGS: 5452 17:22:22 -2037.617097 0.1874 BFGS: 5453 17:22:23 -2037.558447 0.1874 BFGS: 5454 17:22:23 -2037.499808 0.1873 BFGS: 5455 17:22:23 -2037.441181 0.1873 BFGS: 5456 17:22:23 -2037.382569 0.1873 BFGS: 5457 17:22:23 -2037.323973 0.1873 BFGS: 5458 17:22:23 -2037.265396 0.1873 BFGS: 5459 17:22:23 -2037.206823 0.1872 BFGS: 5460 17:22:23 -2037.148265 0.1872 BFGS: 5461 17:22:23 -2037.084731 0.1872 BFGS: 5462 17:22:23 -2037.026359 0.1872 BFGS: 5463 17:22:23 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-1983.269284 0.0000 BFGS: 9739 17:26:26 -1983.269283 0.0000 BFGS: 9740 17:26:26 -1983.269284 0.0000 BFGS: 9741 17:26:26 -1983.269283 0.0000 BFGS: 9742 17:26:26 -1983.269284 0.0000 BFGS: 9743 17:26:26 -1983.269283 0.0000 BFGS: 9744 17:26:26 -1983.269284 0.0000 BFGS: 9745 17:26:26 -1983.269283 0.0000 BFGS: 9746 17:26:26 -1983.269283 0.0000 BFGS: 9747 17:26:26 -1983.269284 0.0000 BFGS: 9748 17:26:26 -1983.269283 0.0000 BFGS: 9749 17:26:26 -1983.269283 0.0000 BFGS: 9750 17:26:26 -1983.269284 0.0000 BFGS: 9751 17:26:26 -1983.269284 0.0000 BFGS: 9752 17:26:26 -1983.269283 0.0000 BFGS: 9753 17:26:26 -1983.269283 0.0000 BFGS: 9754 17:26:26 -1983.269284 0.0000 BFGS: 9755 17:26:27 -1983.269284 0.0000 BFGS: 9756 17:26:27 -1983.269284 0.0000 BFGS: 9757 17:26:27 -1983.269283 0.0000 BFGS: 9758 17:26:27 -1983.269284 0.0000 BFGS: 9759 17:26:27 -1983.269284 0.0000 BFGS: 9760 17:26:27 -1983.269283 0.0000 BFGS: 9761 17:26:27 -1983.269284 0.0000 BFGS: 9762 17:26:27 -1983.269284 0.0000 BFGS: 9763 17:26:27 -1983.269283 0.0000 BFGS: 9764 17:26:27 -1983.269284 0.0000 BFGS: 9765 17:26:27 -1983.269283 0.0000 BFGS: 9766 17:26:27 -1983.269284 0.0000 BFGS: 9767 17:26:27 -1983.269283 0.0000 BFGS: 9768 17:26:27 -1983.269284 0.0000 BFGS: 9769 17:26:28 -1983.269283 0.0000 BFGS: 9770 17:26:28 -1983.269283 0.0000 BFGS: 9771 17:26:28 -1983.269284 0.0000 BFGS: 9772 17:26:28 -1983.269284 0.0000 BFGS: 9773 17:26:28 -1983.269283 0.0000 BFGS: 9774 17:26:28 -1983.269284 0.0000 BFGS: 9775 17:26:28 -1983.269284 0.0000 BFGS: 9776 17:26:28 -1983.269283 0.0000 BFGS: 9777 17:26:28 -1983.269284 0.0000 BFGS: 9778 17:26:28 -1983.269283 0.0000 BFGS: 9779 17:26:28 -1983.269284 0.0000 BFGS: 9780 17:26:28 -1983.269283 0.0000 BFGS: 9781 17:26:28 -1983.269284 0.0000 BFGS: 9782 17:26:28 -1983.269283 0.0000 BFGS: 9783 17:26:28 -1983.269284 0.0000 BFGS: 9784 17:26:28 -1983.269284 0.0000 BFGS: 9785 17:26:28 -1983.269283 0.0000 BFGS: 9786 17:26:29 -1983.269283 0.0000 BFGS: 9787 17:26:29 -1983.269283 0.0000 BFGS: 9788 17:26:29 -1983.269283 0.0000 BFGS: 9789 17:26:29 -1983.269284 0.0000 BFGS: 9790 17:26:29 -1983.269283 0.0000 BFGS: 9791 17:26:29 -1983.269284 0.0000 BFGS: 9792 17:26:29 -1983.269284 0.0000 BFGS: 9793 17:26:29 -1983.269284 0.0000 BFGS: 9794 17:26:29 -1983.269283 0.0000 BFGS: 9795 17:26:29 -1983.269283 0.0000 BFGS: 9796 17:26:29 -1983.269284 0.0000 BFGS: 9797 17:26:29 -1983.269283 0.0000 BFGS: 9798 17:26:29 -1983.269284 0.0000 BFGS: 9799 17:26:29 -1983.269284 0.0000 BFGS: 9800 17:26:29 -1983.269284 0.0000 BFGS: 9801 17:26:29 -1983.269284 0.0000 BFGS: 9802 17:26:29 -1983.269284 0.0000 BFGS: 9803 17:26:30 -1983.269283 0.0000 BFGS: 9804 17:26:30 -1983.269283 0.0000 BFGS: 9805 17:26:30 -1983.269284 0.0000 BFGS: 9806 17:26:30 -1983.269284 0.0000 BFGS: 9807 17:26:30 -1983.269284 0.0000 BFGS: 9808 17:26:30 -1983.269284 0.0000 BFGS: 9809 17:26:30 -1983.269283 0.0000 BFGS: 9810 17:26:30 -1983.269284 0.0000 BFGS: 9811 17:26:30 -1983.269284 0.0000 BFGS: 9812 17:26:30 -1983.269284 0.0000 BFGS: 9813 17:26:30 -1983.269284 0.0000 BFGS: 9814 17:26:30 -1983.269283 0.0000 BFGS: 9815 17:26:30 -1983.269284 0.0000 BFGS: 9816 17:26:30 -1983.269283 0.0000 BFGS: 9817 17:26:30 -1983.269283 0.0000 BFGS: 9818 17:26:30 -1983.269284 0.0000 BFGS: 9819 17:26:31 -1983.269284 0.0000 BFGS: 9820 17:26:31 -1983.269284 0.0000 BFGS: 9821 17:26:31 -1983.269283 0.0000 BFGS: 9822 17:26:31 -1983.269283 0.0000 BFGS: 9823 17:26:31 -1983.269284 0.0000 BFGS: 9824 17:26:31 -1983.269284 0.0000 BFGS: 9825 17:26:31 -1983.269283 0.0000 BFGS: 9826 17:26:31 -1983.269284 0.0000 BFGS: 9827 17:26:31 -1983.269283 0.0000 BFGS: 9828 17:26:31 -1983.269284 0.0000 BFGS: 9829 17:26:31 -1983.269284 0.0000 BFGS: 9830 17:26:31 -1983.269284 0.0000 BFGS: 9831 17:26:31 -1983.269283 0.0000 BFGS: 9832 17:26:31 -1983.269284 0.0000 BFGS: 9833 17:26:31 -1983.269283 0.0000 BFGS: 9834 17:26:31 -1983.269283 0.0000 BFGS: 9835 17:26:31 -1983.269284 0.0000 BFGS: 9836 17:26:32 -1983.269283 0.0000 BFGS: 9837 17:26:32 -1983.269284 0.0000 BFGS: 9838 17:26:32 -1983.269284 0.0000 BFGS: 9839 17:26:32 -1983.269284 0.0000 BFGS: 9840 17:26:32 -1983.269284 0.0000 BFGS: 9841 17:26:32 -1983.269283 0.0000 BFGS: 9842 17:26:32 -1983.269284 0.0000 BFGS: 9843 17:26:32 -1983.269284 0.0000 BFGS: 9844 17:26:32 -1983.269283 0.0000 BFGS: 9845 17:26:32 -1983.269284 0.0000 BFGS: 9846 17:26:32 -1983.269284 0.0000 BFGS: 9847 17:26:32 -1983.269284 0.0000 BFGS: 9848 17:26:32 -1983.269283 0.0000 BFGS: 9849 17:26:32 -1983.269284 0.0000 BFGS: 9850 17:26:32 -1983.269284 0.0000 BFGS: 9851 17:26:32 -1983.269283 0.0000 BFGS: 9852 17:26:32 -1983.269283 0.0000 BFGS: 9853 17:26:33 -1983.269284 0.0000 BFGS: 9854 17:26:33 -1983.269284 0.0000 BFGS: 9855 17:26:33 -1983.269284 0.0000 BFGS: 9856 17:26:33 -1983.269284 0.0000 BFGS: 9857 17:26:33 -1983.269283 0.0000 BFGS: 9858 17:26:33 -1983.269283 0.0000 BFGS: 9859 17:26:33 -1983.269284 0.0000 BFGS: 9860 17:26:33 -1983.269283 0.0000 BFGS: 9861 17:26:33 -1983.269284 0.0000 BFGS: 9862 17:26:33 -1983.269284 0.0000 BFGS: 9863 17:26:33 -1983.269283 0.0000 BFGS: 9864 17:26:33 -1983.269283 0.0000 BFGS: 9865 17:26:33 -1983.269284 0.0000 BFGS: 9866 17:26:33 -1983.269284 0.0000 BFGS: 9867 17:26:33 -1983.269283 0.0000 BFGS: 9868 17:26:33 -1983.269284 0.0000 BFGS: 9869 17:26:33 -1983.269284 0.0000 BFGS: 9870 17:26:34 -1983.269283 0.0000 BFGS: 9871 17:26:34 -1983.269283 0.0000 BFGS: 9872 17:26:34 -1983.269284 0.0000 BFGS: 9873 17:26:34 -1983.269284 0.0000 BFGS: 9874 17:26:34 -1983.269283 0.0000 BFGS: 9875 17:26:34 -1983.269284 0.0000 BFGS: 9876 17:26:34 -1983.269283 0.0000 BFGS: 9877 17:26:34 -1983.269284 0.0000 BFGS: 9878 17:26:34 -1983.269284 0.0000 BFGS: 9879 17:26:34 -1983.269283 0.0000 BFGS: 9880 17:26:34 -1983.269284 0.0000 BFGS: 9881 17:26:34 -1983.269283 0.0000 BFGS: 9882 17:26:34 -1983.269284 0.0000 BFGS: 9883 17:26:34 -1983.269284 0.0000 BFGS: 9884 17:26:34 -1983.269283 0.0000 BFGS: 9885 17:26:34 -1983.269283 0.0000 BFGS: 9886 17:26:34 -1983.269284 0.0000 BFGS: 9887 17:26:35 -1983.269284 0.0000 BFGS: 9888 17:26:35 -1983.269284 0.0000 BFGS: 9889 17:26:35 -1983.269283 0.0000 BFGS: 9890 17:26:35 -1983.269284 0.0000 BFGS: 9891 17:26:35 -1983.269283 0.0000 BFGS: 9892 17:26:35 -1983.269284 0.0000 BFGS: 9893 17:26:35 -1983.269284 0.0000 BFGS: 9894 17:26:35 -1983.269283 0.0000 BFGS: 9895 17:26:35 -1983.269284 0.0000 BFGS: 9896 17:26:35 -1983.269283 0.0000 BFGS: 9897 17:26:35 -1983.269284 0.0000 BFGS: 9898 17:26:35 -1983.269284 0.0000 BFGS: 9899 17:26:35 -1983.269284 0.0000 BFGS: 9900 17:26:35 -1983.269284 0.0000 BFGS: 9901 17:26:35 -1983.269283 0.0000 BFGS: 9902 17:26:35 -1983.269283 0.0000 BFGS: 9903 17:26:36 -1983.269284 0.0000 BFGS: 9904 17:26:36 -1983.269284 0.0000 BFGS: 9905 17:26:36 -1983.269283 0.0000 BFGS: 9906 17:26:36 -1983.269284 0.0000 BFGS: 9907 17:26:36 -1983.269284 0.0000 BFGS: 9908 17:26:36 -1983.269284 0.0000 BFGS: 9909 17:26:36 -1983.269283 0.0000 BFGS: 9910 17:26:36 -1983.269283 0.0000 BFGS: 9911 17:26:36 -1983.269284 0.0000 BFGS: 9912 17:26:36 -1983.269283 0.0000 BFGS: 9913 17:26:36 -1983.269283 0.0000 BFGS: 9914 17:26:36 -1983.269284 0.0000 BFGS: 9915 17:26:36 -1983.269284 0.0000 BFGS: 9916 17:26:36 -1983.269284 0.0000 BFGS: 9917 17:26:36 -1983.269283 0.0000 BFGS: 9918 17:26:36 -1983.269284 0.0000 BFGS: 9919 17:26:36 -1983.269284 0.0000 BFGS: 9920 17:26:37 -1983.269284 0.0000 BFGS: 9921 17:26:37 -1983.269283 0.0000 BFGS: 9922 17:26:37 -1983.269283 0.0000 BFGS: 9923 17:26:37 -1983.269284 0.0000 BFGS: 9924 17:26:37 -1983.269283 0.0000 BFGS: 9925 17:26:37 -1983.269284 0.0000 BFGS: 9926 17:26:37 -1983.269283 0.0000 BFGS: 9927 17:26:37 -1983.269284 0.0000 BFGS: 9928 17:26:37 -1983.269283 0.0000 BFGS: 9929 17:26:37 -1983.269283 0.0000 BFGS: 9930 17:26:37 -1983.269283 0.0000 BFGS: 9931 17:26:37 -1983.269284 0.0000 BFGS: 9932 17:26:37 -1983.269283 0.0000 BFGS: 9933 17:26:37 -1983.269284 0.0000 BFGS: 9934 17:26:37 -1983.269284 0.0000 BFGS: 9935 17:26:37 -1983.269284 0.0000 BFGS: 9936 17:26:37 -1983.269284 0.0000 BFGS: 9937 17:26:38 -1983.269283 0.0000 BFGS: 9938 17:26:38 -1983.269283 0.0000 BFGS: 9939 17:26:38 -1983.269284 0.0000 BFGS: 9940 17:26:38 -1983.269284 0.0000 BFGS: 9941 17:26:38 -1983.269284 0.0000 BFGS: 9942 17:26:38 -1983.269283 0.0000 BFGS: 9943 17:26:38 -1983.269283 0.0000 BFGS: 9944 17:26:38 -1983.269284 0.0000 BFGS: 9945 17:26:38 -1983.269283 0.0000 BFGS: 9946 17:26:38 -1983.269283 0.0000 BFGS: 9947 17:26:38 -1983.269284 0.0000 BFGS: 9948 17:26:38 -1983.269284 0.0000 BFGS: 9949 17:26:38 -1983.269283 0.0000 BFGS: 9950 17:26:38 -1983.269283 0.0000 BFGS: 9951 17:26:38 -1983.269283 0.0000 BFGS: 9952 17:26:38 -1983.269284 0.0000 BFGS: 9953 17:26:38 -1983.269283 0.0000 BFGS: 9954 17:26:38 -1983.269284 0.0000 BFGS: 9955 17:26:39 -1983.269283 0.0000 BFGS: 9956 17:26:39 -1983.269284 0.0000 BFGS: 9957 17:26:39 -1983.269283 0.0000 BFGS: 9958 17:26:39 -1983.269283 0.0000 BFGS: 9959 17:26:39 -1983.269284 0.0000 BFGS: 9960 17:26:39 -1983.269284 0.0000 BFGS: 9961 17:26:39 -1983.269284 0.0000 BFGS: 9962 17:26:39 -1983.269283 0.0000 BFGS: 9963 17:26:39 -1983.269284 0.0000 BFGS: 9964 17:26:39 -1983.269284 0.0000 BFGS: 9965 17:26:39 -1983.269283 0.0000 BFGS: 9966 17:26:39 -1983.269284 0.0000 BFGS: 9967 17:26:39 -1983.269284 0.0000 BFGS: 9968 17:26:39 -1983.269284 0.0000 BFGS: 9969 17:26:39 -1983.269283 0.0000 BFGS: 9970 17:26:39 -1983.269283 0.0000 BFGS: 9971 17:26:39 -1983.269284 0.0000 BFGS: 9972 17:26:40 -1983.269283 0.0000 BFGS: 9973 17:26:40 -1983.269284 0.0000 BFGS: 9974 17:26:40 -1983.269284 0.0000 BFGS: 9975 17:26:40 -1983.269283 0.0000 BFGS: 9976 17:26:40 -1983.269284 0.0000 BFGS: 9977 17:26:40 -1983.269284 0.0000 BFGS: 9978 17:26:40 -1983.269283 0.0000 BFGS: 9979 17:26:40 -1983.269284 0.0000 BFGS: 9980 17:26:40 -1983.269284 0.0000 BFGS: 9981 17:26:40 -1983.269284 0.0000 BFGS: 9982 17:26:40 -1983.269283 0.0000 BFGS: 9983 17:26:40 -1983.269284 0.0000 BFGS: 9984 17:26:40 -1983.269283 0.0000 BFGS: 9985 17:26:40 -1983.269284 0.0000 BFGS: 9986 17:26:40 -1983.269284 0.0000 BFGS: 9987 17:26:40 -1983.269284 0.0000 BFGS: 9988 17:26:40 -1983.269283 0.0000 BFGS: 9989 17:26:41 -1983.269284 0.0000 BFGS: 9990 17:26:41 -1983.269284 0.0000 BFGS: 9991 17:26:41 -1983.269284 0.0000 BFGS: 9992 17:26:41 -1983.269283 0.0000 BFGS: 9993 17:26:41 -1983.269283 0.0000 BFGS: 9994 17:26:41 -1983.269283 0.0000 BFGS: 9995 17:26:41 -1983.269284 0.0000 BFGS: 9996 17:26:41 -1983.269283 0.0000 BFGS: 9997 17:26:41 -1983.269284 0.0000 BFGS: 9998 17:26:41 -1983.269284 0.0000 BFGS: 9999 17:26:41 -1983.269283 0.0000 BFGS: 10000 17:26:41 -1983.269284 0.0000 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 2.924312912679289e-08 eV/Angstrom Maximum stress component: 2.6485775028796798e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[1.00000000e+00 8.33911711e-01 2.50000000e-01] [5.00000000e-01 3.33911711e-01 2.50000000e-01] [1.00000000e+00 1.66088289e-01 7.50000000e-01] [5.00000000e-01 6.66088289e-01 7.50000000e-01] [3.61233098e-01 7.16610027e-02 7.54842960e-01] [6.38766902e-01 7.16610027e-02 7.45157040e-01] [8.61233098e-01 5.71661003e-01 7.54842960e-01] [1.38766902e-01 5.71661003e-01 7.45157040e-01] [6.38766902e-01 9.28338997e-01 2.45157040e-01] [3.61233098e-01 9.28338997e-01 2.54842960e-01] [1.38766902e-01 4.28338997e-01 2.45157040e-01] [8.61233098e-01 4.28338997e-01 2.54842960e-01] [1.75620956e-01 9.08811672e-01 5.43211163e-01] [8.24379044e-01 9.08811672e-01 9.56788837e-01] [6.75620956e-01 4.08811672e-01 5.43211163e-01] [3.24379044e-01 4.08811672e-01 9.56788837e-01] [8.24379044e-01 9.11883282e-02 4.56788837e-01] [1.75620956e-01 9.11883282e-02 4.32111633e-02] [3.24379044e-01 5.91188328e-01 4.56788837e-01] [6.75620956e-01 5.91188328e-01 4.32111633e-02] [1.68306850e-01 8.34683947e-01 7.89546135e-01] [8.31693150e-01 8.34683947e-01 7.10453865e-01] [6.68306850e-01 3.34683947e-01 7.89546135e-01] [3.31693150e-01 3.34683947e-01 7.10453865e-01] [8.31693150e-01 1.65316053e-01 2.10453865e-01] [1.68306850e-01 1.65316053e-01 2.89546135e-01] [3.31693150e-01 6.65316053e-01 2.10453865e-01] [6.68306850e-01 6.65316053e-01 2.89546135e-01] [4.02954884e-01 7.71157091e-01 4.23447556e-01] [5.97045116e-01 7.71157091e-01 7.65524436e-02] [9.02954884e-01 2.71157091e-01 4.23447556e-01] [9.70451164e-02 2.71157091e-01 7.65524436e-02] [5.97045116e-01 2.28842909e-01 5.76552444e-01] [4.02954884e-01 2.28842909e-01 9.23447556e-01] [9.70451164e-02 7.28842909e-01 5.76552444e-01] [9.02954884e-01 7.28842909e-01 9.23447556e-01] [5.01616929e-01 3.82960824e-01 9.53742185e-03] [4.98383071e-01 3.82960824e-01 4.90462578e-01] [1.61692947e-03 8.82960824e-01 9.53742185e-03] [9.98383071e-01 8.82960824e-01 4.90462578e-01] [4.98383071e-01 6.17039176e-01 9.90462578e-01] [5.01616929e-01 6.17039176e-01 5.09537422e-01] [9.98383071e-01 1.17039176e-01 9.90462578e-01] [1.61692947e-03 1.17039176e-01 5.09537422e-01] [3.74189745e-01 2.98223808e-01 1.67729658e-01] [6.25810255e-01 2.98223808e-01 3.32270342e-01] [8.74189745e-01 7.98223808e-01 1.67729658e-01] [1.25810255e-01 7.98223808e-01 3.32270342e-01] [6.25810255e-01 7.01776192e-01 8.32270342e-01] [3.74189745e-01 7.01776192e-01 6.67729658e-01] [1.25810255e-01 2.01776192e-01 8.32270342e-01] [8.74189745e-01 2.01776192e-01 6.67729658e-01] [2.70340808e-01 1.89564906e-01 8.92104355e-01] [7.29659192e-01 1.89564906e-01 6.07895645e-01] [7.70340808e-01 6.89564906e-01 8.92104355e-01] [2.29659192e-01 6.89564906e-01 6.07895645e-01] [7.29659192e-01 8.10435094e-01 1.07895645e-01] [2.70340808e-01 8.10435094e-01 3.92104355e-01] [2.29659192e-01 3.10435094e-01 1.07895645e-01] [7.70340808e-01 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[-1.79365945e-09 -5.60404213e-09 5.08168472e-09] [ 1.79365945e-09 -5.60404213e-09 -5.08168472e-09] [-1.79365945e-09 -5.60404213e-09 5.08168472e-09] [ 5.15011180e-09 5.06613787e-10 -1.49959864e-08] [-5.15011180e-09 5.06613787e-10 1.49959864e-08] [ 5.15011180e-09 5.06613787e-10 -1.49959864e-08] [-5.15011180e-09 5.06613787e-10 1.49959864e-08] [-5.15011180e-09 -5.06613787e-10 1.49959864e-08] [ 5.15011180e-09 -5.06613787e-10 -1.49959864e-08] [-5.15011180e-09 -5.06613787e-10 1.49959864e-08] [ 5.15011180e-09 -5.06613787e-10 -1.49959864e-08] [ 4.92982367e-09 1.29206787e-09 -2.40671966e-09] [-4.92982367e-09 1.29206787e-09 2.40671966e-09] [ 4.92982367e-09 1.29206787e-09 -2.40671966e-09] [-4.92982367e-09 1.29206787e-09 2.40671966e-09] [-4.92982367e-09 -1.29206787e-09 2.40671966e-09] [ 4.92982367e-09 -1.29206787e-09 -2.40671966e-09] [-4.92982367e-09 -1.29206787e-09 2.40671966e-09] [ 4.92982367e-09 -1.29206787e-09 -2.40671966e-09] [ 1.22927680e-09 -1.67472628e-09 3.17118747e-09] [-1.22927680e-09 -1.67472628e-09 -3.17118747e-09] [ 1.22927680e-09 -1.67472628e-09 3.17118747e-09] [-1.22927680e-09 -1.67472628e-09 -3.17118747e-09] [-1.22927680e-09 1.67472628e-09 -3.17118747e-09] [ 1.22927680e-09 1.67472628e-09 3.17118747e-09] [-1.22927680e-09 1.67472628e-09 -3.17118747e-09] [ 1.22927680e-09 1.67472628e-09 3.17118747e-09] [ 1.15675399e-09 -3.73149309e-09 -7.52585290e-09] [-1.15675399e-09 -3.73149309e-09 7.52585290e-09] [ 1.15675399e-09 -3.73149309e-09 -7.52585290e-09] [-1.15675399e-09 -3.73149309e-09 7.52585290e-09] [-1.15675399e-09 3.73149309e-09 7.52585290e-09] [ 1.15675399e-09 3.73149309e-09 -7.52585290e-09] [-1.15675399e-09 3.73149309e-09 7.52585290e-09] [ 1.15675399e-09 3.73149309e-09 -7.52585290e-09] [ 1.14342657e-08 6.54195031e-13 -8.00989954e-09] [-1.14342657e-08 6.54195031e-13 8.00989954e-09] [ 1.14342657e-08 6.54195031e-13 -8.00989954e-09] [-1.14342657e-08 6.54195031e-13 8.00989954e-09] [-1.14342657e-08 -6.54195031e-13 8.00989954e-09] [ 1.14342657e-08 -6.54195031e-13 -8.00989954e-09] [-1.14342657e-08 -6.54195031e-13 8.00989954e-09] [ 1.14342657e-08 -6.54195031e-13 -8.00989954e-09] [ 4.68792697e-09 -8.19437241e-10 -5.91925710e-09] [-4.68792697e-09 -8.19437241e-10 5.91925710e-09] [ 4.68792697e-09 -8.19437241e-10 -5.91925710e-09] [-4.68792697e-09 -8.19437241e-10 5.91925710e-09] [-4.68792697e-09 8.19437241e-10 5.91925710e-09] [ 4.68792697e-09 8.19437241e-10 -5.91925710e-09] [-4.68792697e-09 8.19437241e-10 5.91925710e-09] [ 4.68792697e-09 8.19437241e-10 -5.91925710e-09] [-4.94805885e-09 -1.34426533e-08 -6.02519609e-09] [ 4.94805885e-09 -1.34426533e-08 6.02519609e-09] [-4.94805885e-09 -1.34426533e-08 -6.02519609e-09] [ 4.94805885e-09 -1.34426533e-08 6.02519609e-09] [ 4.94805885e-09 1.34426533e-08 6.02519609e-09] [-4.94805885e-09 1.34426533e-08 -6.02519609e-09] [ 4.94805885e-09 1.34426533e-08 6.02519609e-09] [-4.94805885e-09 1.34426533e-08 -6.02519609e-09] [ 9.92487386e-10 3.81694543e-09 -6.83742878e-09] [-9.92487386e-10 3.81694543e-09 6.83742878e-09] [ 9.92487386e-10 3.81694543e-09 -6.83742878e-09] [-9.92487386e-10 3.81694543e-09 6.83742878e-09] [-9.92487386e-10 -3.81694543e-09 6.83742878e-09] [ 9.92487386e-10 -3.81694543e-09 -6.83742878e-09] [-9.92487386e-10 -3.81694543e-09 6.83742878e-09] [ 9.92487386e-10 -3.81694543e-09 -6.83742878e-09]] stress = [ 4.33662728e-12 1.53478602e-11 -2.64857750e-11 -2.06655397e-29 -2.35303674e-11 -3.04315041e-30] energy per atom = -12.093105387915122 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0