element(s): ['Ca', 'O', 'Si'] AFLOW prototype label: AB3C_aP30_2_3i_9i_3i Parameter names: ['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', 'x1', 'y1', 'z1', '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'] model type (only 'standard' supported at this time): standard number of parameter sets: 2 Parameter values for parameter set 0: ['8.0183', '0.92165422', '0.89137348', '90.0532', '95.4194', '103.4407', '0.9957359', '0.24908564', '0.97057755', '0.70365761', '0.92863942', '0.2636599', '0.69816354', '0.42328826', '0.2611699', '0.10036925', '0.27363209', '0.66885072', '0.070004926', '0.76950658', '0.70132301', '0.19914831', '0.063638413', '0.033601289', '0.19668969', '0.53593213', '0.033711491', '0.52040478', '0.13161874', '0.2368768', '0.5178965', '0.62682008', '0.2342887', '0.23079468', '0.12906426', '0.40549465', '0.22781696', '0.48793282', '0.40621195', '0.27869739', '0.82007436', '0.27073528', '0.31578845', '0.045800599', '0.22929263', '0.31485542', '0.61185844', '0.2292518', '0.10420235', '0.27609926', '0.44201508'] Parameter values for parameter set 1: ['6.7775', '1.3825895', '0.99430468', '83.5094', '75.9601', '69.7373', '0.75709148', '0.0011147306', '0.73598857', '0.92299988', '0.33483882', '0.57277016', '0.26673272', '0.35208259', '0.90731832', '0.23178876', '0.40353274', '0.54135229', '0.61239375', '0.26425051', '0.63625742', '0.49465368', '0.13777657', '0.36197599', '0.6548869', '0.90512925', '0.11523013', '0.89834602', '0.94027959', '0.3712392', '0.80847639', '0.1347392', '0.045154102', '0.88477946', '0.40443359', '0.91223543', '0.027264404', '0.25524213', '0.23252552', '0.59809072', '0.3866145', '0.25192747', '0.47912857', '0.30143537', '0.45477333', '0.72490732', '0.015737688', '0.22911936', '0.83857573', '0.29268957', '0.10637066'] model name: Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ca', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.9957359 0.24908564 0.97057755] [0.70365761 0.92863942 0.2636599 ] [0.69816354 0.42328826 0.2611699 ] [0.10036925 0.27363209 0.66885072] [0.07000493 0.76950658 0.70132301] [0.19914831 0.06363841 0.03360129] [0.19668969 0.53593213 0.03371149] [0.52040478 0.13161874 0.2368768 ] [0.5178965 0.62682008 0.2342887 ] [0.23079468 0.12906426 0.40549465] [0.22781696 0.48793282 0.40621195] [0.27869739 0.82007436 0.27073528] [0.31578845 0.0458006 0.22929263] [0.31485542 0.61185844 0.2292518 ] [0.10420235 0.27609926 0.44201508]] spacegroup = 2 cell = [[8.0183, 0, 0], [-1.7177463848797, 7.1876926316609, 0], [-0.67502960099312, -0.1681447993181, 7.1133648616]] ========================================= Step Time Energy fmax BFGS: 0 22:08:26 -200.223788 1.9841 BFGS: 1 22:08:26 -200.444445 4.4613 BFGS: 2 22:08:26 -200.091064 11.8012 BFGS: 3 22:08:26 -200.518309 2.4493 BFGS: 4 22:08:26 -200.652777 1.4486 BFGS: 5 22:08:26 -200.744759 1.1797 BFGS: 6 22:08:26 -198.368185 53.3419 BFGS: 7 22:08:26 -200.822846 1.3092 BFGS: 8 22:08:27 -200.848324 1.1521 BFGS: 9 22:08:27 -200.905388 0.6044 BFGS: 10 22:08:27 -200.926198 0.4861 BFGS: 11 22:08:27 -200.978541 1.0188 BFGS: 12 22:08:27 -200.991142 0.7294 BFGS: 13 22:08:27 -201.014456 0.5530 BFGS: 14 22:08:27 -201.044676 0.3403 BFGS: 15 22:08:27 -201.058469 0.4586 BFGS: 16 22:08:27 -201.070892 0.3658 BFGS: 17 22:08:27 -201.078822 0.2526 BFGS: 18 22:08:27 -201.077128 0.3248 BFGS: 19 22:08:27 -201.086156 0.5882 BFGS: 20 22:08:27 -201.091653 0.2624 BFGS: 21 22:08:27 -201.100003 0.2250 BFGS: 22 22:08:27 -200.953921 2.1166 BFGS: 23 22:08:27 -201.107292 0.1894 BFGS: 24 22:08:27 -201.110254 0.1272 BFGS: 25 22:08:27 -201.113422 0.2186 BFGS: 26 22:08:27 -201.115398 0.1651 BFGS: 27 22:08:28 -201.121293 0.1101 BFGS: 28 22:08:28 -201.123009 0.1085 BFGS: 29 22:08:28 -201.126093 0.1194 BFGS: 30 22:08:28 -201.129734 0.1419 BFGS: 31 22:08:28 -201.133389 0.1156 BFGS: 32 22:08:28 -201.136245 0.0935 BFGS: 33 22:08:28 -201.138816 0.0939 BFGS: 34 22:08:28 -201.142369 0.1042 BFGS: 35 22:08:28 -201.147054 0.0953 BFGS: 36 22:08:29 -201.150521 0.1077 BFGS: 37 22:08:29 -201.153992 0.1069 BFGS: 38 22:08:29 -201.158223 0.1630 BFGS: 39 22:08:29 -201.161809 0.1823 BFGS: 40 22:08:29 -201.165364 0.1198 BFGS: 41 22:08:30 -201.167475 0.0719 BFGS: 42 22:08:30 -201.169253 0.0771 BFGS: 43 22:08:30 -201.171461 0.0980 BFGS: 44 22:08:30 -201.174362 0.1316 BFGS: 45 22:08:30 -201.177229 0.1098 BFGS: 46 22:08:31 -201.179667 0.0859 BFGS: 47 22:08:31 -201.181453 0.0803 BFGS: 48 22:08:32 -201.185913 0.1660 BFGS: 49 22:08:32 -201.189198 0.2149 BFGS: 50 22:08:32 -201.192801 0.1857 BFGS: 51 22:08:32 -201.194319 0.1145 BFGS: 52 22:08:33 -201.195579 0.0738 BFGS: 53 22:08:34 -201.196924 0.0894 BFGS: 54 22:08:35 -201.198820 0.1796 BFGS: 55 22:08:35 -201.201150 0.2554 BFGS: 56 22:08:36 -201.203315 0.3207 BFGS: 57 22:08:37 -201.205868 0.3001 BFGS: 58 22:08:37 -201.211853 0.1901 BFGS: 59 22:08:37 -201.217336 0.1826 BFGS: 60 22:08:38 -201.221587 0.2046 BFGS: 61 22:08:39 -201.223315 0.1253 BFGS: 62 22:08:40 -201.224566 0.0861 BFGS: 63 22:08:40 -201.225638 0.0635 BFGS: 64 22:08:41 -201.227318 0.0723 BFGS: 65 22:08:41 -201.229312 0.0633 BFGS: 66 22:08:41 -201.230409 0.0525 BFGS: 67 22:08:41 -201.231069 0.0530 BFGS: 68 22:08:41 -201.231854 0.0694 BFGS: 69 22:08:42 -201.232987 0.0789 BFGS: 70 22:08:42 -201.234021 0.0521 BFGS: 71 22:08:42 -201.234838 0.0639 BFGS: 72 22:08:42 -201.235444 0.0533 BFGS: 73 22:08:43 -201.235932 0.0538 BFGS: 74 22:08:43 -201.236422 0.0461 BFGS: 75 22:08:43 -201.236849 0.0418 BFGS: 76 22:08:44 -201.237108 0.0296 BFGS: 77 22:08:45 -201.237326 0.0306 BFGS: 78 22:08:45 -201.237617 0.0364 BFGS: 79 22:08:46 -201.237972 0.0408 BFGS: 80 22:08:46 -201.238318 0.0359 BFGS: 81 22:08:47 -201.238561 0.0245 BFGS: 82 22:08:47 -201.238742 0.0284 BFGS: 83 22:08:48 -201.238946 0.0432 BFGS: 84 22:08:49 -201.239219 0.0519 BFGS: 85 22:08:49 -201.239505 0.0377 BFGS: 86 22:08:50 -201.239699 0.0295 BFGS: 87 22:08:50 -201.252352 0.0462 BFGS: 88 22:08:50 -201.248594 0.2787 BFGS: 89 22:08:51 -201.252828 0.0398 BFGS: 90 22:08:51 -201.252962 0.0455 BFGS: 91 22:08:52 -201.253088 0.0497 BFGS: 92 22:08:52 -201.253480 0.0585 BFGS: 93 22:08:52 -201.253701 0.0496 BFGS: 94 22:08:52 -201.253949 0.0296 BFGS: 95 22:08:52 -201.254100 0.0247 BFGS: 96 22:08:53 -201.254288 0.0297 BFGS: 97 22:08:53 -201.254435 0.0334 BFGS: 98 22:08:54 -201.254528 0.0224 BFGS: 99 22:08:54 -201.254569 0.0178 BFGS: 100 22:08:55 -201.254603 0.0208 BFGS: 101 22:08:55 -201.254650 0.0264 BFGS: 102 22:08:55 -201.254710 0.0213 BFGS: 103 22:08:56 -201.254763 0.0124 BFGS: 104 22:08:56 -201.254801 0.0090 BFGS: 105 22:08:57 -201.254833 0.0119 BFGS: 106 22:08:57 -201.254875 0.0131 BFGS: 107 22:08:57 -201.254916 0.0105 BFGS: 108 22:08:58 -201.254941 0.0097 BFGS: 109 22:08:59 -201.254954 0.0091 BFGS: 110 22:08:59 -201.254967 0.0102 BFGS: 111 22:09:00 -201.254991 0.0082 BFGS: 112 22:09:00 -201.255023 0.0064 BFGS: 113 22:09:01 -201.255052 0.0097 BFGS: 114 22:09:01 -201.255073 0.0101 BFGS: 115 22:09:02 -201.255087 0.0084 BFGS: 116 22:09:03 -201.255094 0.0040 BFGS: 117 22:09:03 -201.255095 0.0028 BFGS: 118 22:09:04 -201.255095 0.0049 BFGS: 119 22:09:04 -201.255096 0.0055 BFGS: 120 22:09:05 -201.255101 0.0048 BFGS: 121 22:09:05 -201.255107 0.0025 BFGS: 122 22:09:06 -201.255111 0.0018 BFGS: 123 22:09:07 -201.255114 0.0019 BFGS: 124 22:09:07 -201.255118 0.0019 BFGS: 125 22:09:07 -201.255123 0.0025 BFGS: 126 22:09:08 -201.255127 0.0027 BFGS: 127 22:09:09 -201.255128 0.0022 BFGS: 128 22:09:09 -201.255128 0.0016 BFGS: 129 22:09:10 -201.255128 0.0019 BFGS: 130 22:09:10 -201.255126 0.0030 BFGS: 131 22:09:11 -201.255125 0.0034 BFGS: 132 22:09:11 -201.255126 0.0021 BFGS: 133 22:09:12 -201.255127 0.0009 BFGS: 134 22:09:13 -201.255128 0.0007 BFGS: 135 22:09:13 -201.255128 0.0008 BFGS: 136 22:09:14 -201.255128 0.0010 BFGS: 137 22:09:15 -201.255126 0.0008 BFGS: 138 22:09:15 -201.255125 0.0008 BFGS: 139 22:09:16 -201.255123 0.0008 BFGS: 140 22:09:16 -201.255121 0.0008 BFGS: 141 22:09:17 -201.255119 0.0007 BFGS: 142 22:09:17 -201.255119 0.0004 BFGS: 143 22:09:18 -201.255119 0.0003 BFGS: 144 22:09:18 -201.255120 0.0003 BFGS: 145 22:09:19 -201.255120 0.0003 BFGS: 146 22:09:20 -201.255119 0.0002 BFGS: 147 22:09:20 -201.255119 0.0001 BFGS: 148 22:09:21 -201.255119 0.0001 BFGS: 149 22:09:21 -201.255119 0.0001 BFGS: 150 22:09:22 -201.255118 0.0001 BFGS: 151 22:09:23 -201.255119 0.0001 BFGS: 152 22:09:23 -201.255119 0.0001 BFGS: 153 22:09:24 -201.255119 0.0001 BFGS: 154 22:09:24 -201.255119 0.0002 BFGS: 155 22:09:25 -201.255120 0.0002 BFGS: 156 22:09:26 -201.255120 0.0002 BFGS: 157 22:09:26 -201.255120 0.0001 BFGS: 158 22:09:27 -201.255120 0.0001 BFGS: 159 22:09:27 -201.255120 0.0001 BFGS: 160 22:09:28 -201.255120 0.0001 BFGS: 161 22:09:29 -201.255120 0.0001 BFGS: 162 22:09:29 -201.255120 0.0001 BFGS: 163 22:09:30 -201.255120 0.0001 BFGS: 164 22:09:31 -201.255120 0.0001 BFGS: 165 22:09:31 -201.255120 0.0001 BFGS: 166 22:09:32 -201.255121 0.0001 BFGS: 167 22:09:32 -201.255121 0.0001 BFGS: 168 22:09:33 -201.255121 0.0001 BFGS: 169 22:09:33 -201.255121 0.0001 BFGS: 170 22:09:34 -201.255121 0.0001 BFGS: 171 22:09:34 -201.255121 0.0000 BFGS: 172 22:09:35 -201.255121 0.0000 BFGS: 173 22:09:35 -201.255121 0.0000 BFGS: 174 22:09:36 -201.255121 0.0000 BFGS: 175 22:09:36 -201.255122 0.0000 BFGS: 176 22:09:37 -201.255122 0.0000 BFGS: 177 22:09:37 -201.255121 0.0000 BFGS: 178 22:09:38 -201.255121 0.0000 BFGS: 179 22:09:39 -201.255121 0.0000 BFGS: 180 22:09:39 -201.255121 0.0000 BFGS: 181 22:09:39 -201.255121 0.0000 BFGS: 182 22:09:40 -201.255121 0.0000 BFGS: 183 22:09:41 -201.255121 0.0000 BFGS: 184 22:09:41 -201.255121 0.0000 BFGS: 185 22:09:42 -201.255121 0.0000 BFGS: 186 22:09:42 -201.255121 0.0000 BFGS: 187 22:09:43 -201.255121 0.0000 BFGS: 188 22:09:43 -201.255121 0.0000 BFGS: 189 22:09:44 -201.255121 0.0000 BFGS: 190 22:09:45 -201.255121 0.0000 BFGS: 191 22:09:45 -201.255121 0.0000 BFGS: 192 22:09:46 -201.255121 0.0000 BFGS: 193 22:09:46 -201.255121 0.0000 BFGS: 194 22:09:47 -201.255121 0.0000 BFGS: 195 22:09:47 -201.255121 0.0000 BFGS: 196 22:09:48 -201.255121 0.0000 BFGS: 197 22:09:48 -201.255121 0.0000 BFGS: 198 22:09:49 -201.255121 0.0000 BFGS: 199 22:09:50 -201.255121 0.0000 BFGS: 200 22:09:50 -201.255121 0.0000 BFGS: 201 22:09:51 -201.255121 0.0000 BFGS: 202 22:09:51 -201.255121 0.0000 BFGS: 203 22:09:52 -201.255121 0.0000 BFGS: 204 22:09:52 -201.255121 0.0000 BFGS: 205 22:09:53 -201.255121 0.0000 BFGS: 206 22:09:54 -201.255121 0.0000 BFGS: 207 22:09:54 -201.255121 0.0000 BFGS: 208 22:09:55 -201.255121 0.0000 BFGS: 209 22:09:56 -201.255121 0.0000 BFGS: 210 22:09:57 -201.255121 0.0000 BFGS: 211 22:09:58 -201.255121 0.0000 BFGS: 212 22:09:59 -201.255121 0.0000 BFGS: 213 22:10:00 -201.255121 0.0000 BFGS: 214 22:10:00 -201.255121 0.0000 BFGS: 215 22:10:00 -201.255121 0.0000 BFGS: 216 22:10:00 -201.255121 0.0000 BFGS: 217 22:10:00 -201.255121 0.0000 BFGS: 218 22:10:01 -201.255121 0.0000 BFGS: 219 22:10:01 -201.255121 0.0000 BFGS: 220 22:10:02 -201.255121 0.0000 BFGS: 221 22:10:02 -201.255121 0.0000 BFGS: 222 22:10:03 -201.255121 0.0000 BFGS: 223 22:10:03 -201.255121 0.0000 BFGS: 224 22:10:04 -201.255121 0.0000 BFGS: 225 22:10:05 -201.255121 0.0000 BFGS: 226 22:10:06 -201.255121 0.0000 BFGS: 227 22:10:06 -201.255121 0.0000 BFGS: 228 22:10:07 -201.255121 0.0000 BFGS: 229 22:10:08 -201.255121 0.0000 BFGS: 230 22:10:08 -201.255121 0.0000 BFGS: 231 22:10:09 -201.255121 0.0000 BFGS: 232 22:10:10 -201.255121 0.0000 BFGS: 233 22:10:10 -201.255121 0.0000 BFGS: 234 22:10:11 -201.255121 0.0000 BFGS: 235 22:10:11 -201.255121 0.0000 BFGS: 236 22:10:12 -201.255121 0.0000 BFGS: 237 22:10:12 -201.255121 0.0000 BFGS: 238 22:10:13 -201.255121 0.0000 BFGS: 239 22:10:13 -201.255121 0.0000 BFGS: 240 22:10:14 -201.255121 0.0000 BFGS: 241 22:10:14 -201.255121 0.0000 BFGS: 242 22:10:15 -201.255121 0.0000 BFGS: 243 22:10:15 -201.255121 0.0000 BFGS: 244 22:10:16 -201.255121 0.0000 BFGS: 245 22:10:17 -201.255121 0.0000 BFGS: 246 22:10:17 -201.255121 0.0000 BFGS: 247 22:10:17 -201.255121 0.0000 BFGS: 248 22:10:18 -201.255121 0.0000 BFGS: 249 22:10:19 -201.255121 0.0000 BFGS: 250 22:10:20 -201.255121 0.0000 BFGS: 251 22:10:21 -201.255121 0.0000 BFGS: 252 22:10:21 -201.255121 0.0000 BFGS: 253 22:10:22 -201.255121 0.0000 BFGS: 254 22:10:22 -201.255121 0.0000 BFGS: 255 22:10:23 -201.255121 0.0000 BFGS: 256 22:10:23 -201.255121 0.0000 BFGS: 257 22:10:24 -201.255121 0.0000 BFGS: 258 22:10:25 -201.255121 0.0000 BFGS: 259 22:10:25 -201.255121 0.0000 BFGS: 260 22:10:26 -201.255121 0.0000 BFGS: 261 22:10:26 -201.255121 0.0000 BFGS: 262 22:10:27 -201.255121 0.0000 BFGS: 263 22:10:27 -201.255121 0.0000 BFGS: 264 22:10:27 -201.255121 0.0000 BFGS: 265 22:10:27 -201.255121 0.0000 BFGS: 266 22:10:27 -201.255121 0.0000 BFGS: 267 22:10:27 -201.255121 0.0000 BFGS: 268 22:10:27 -201.255121 0.0000 BFGS: 269 22:10:28 -201.255121 0.0000 BFGS: 270 22:10:28 -201.255121 0.0000 BFGS: 271 22:10:28 -201.255121 0.0000 BFGS: 272 22:10:28 -201.255121 0.0000 BFGS: 273 22:10:28 -201.255121 0.0000 BFGS: 274 22:10:28 -201.255121 0.0000 BFGS: 275 22:10:28 -201.255121 0.0000 BFGS: 276 22:10:28 -201.255121 0.0000 BFGS: 277 22:10:28 -201.255121 0.0000 BFGS: 278 22:10:28 -201.255121 0.0000 BFGS: 279 22:10:29 -201.255121 0.0000 BFGS: 280 22:10:29 -201.255121 0.0000 BFGS: 281 22:10:29 -201.255121 0.0000 BFGS: 282 22:10:29 -201.255121 0.0000 BFGS: 283 22:10:29 -201.255121 0.0000 BFGS: 284 22:10:29 -201.255121 0.0000 BFGS: 285 22:10:29 -201.255121 0.0000 BFGS: 286 22:10:29 -201.255121 0.0000 BFGS: 287 22:10:29 -201.255121 0.0000 BFGS: 288 22:10:29 -201.255121 0.0000 BFGS: 289 22:10:30 -201.255121 0.0000 BFGS: 290 22:10:30 -201.255121 0.0000 BFGS: 291 22:10:30 -201.255121 0.0000 BFGS: 292 22:10:31 -201.255121 0.0000 BFGS: 293 22:10:31 -201.255121 0.0000 BFGS: 294 22:10:32 -201.255121 0.0000 BFGS: 295 22:10:32 -201.255121 0.0000 BFGS: 296 22:10:33 -201.255121 0.0000 BFGS: 297 22:10:33 -201.255121 0.0000 BFGS: 298 22:10:34 -201.255121 0.0000 BFGS: 299 22:10:35 -201.255121 0.0000 BFGS: 300 22:10:36 -201.255121 0.0000 BFGS: 301 22:10:37 -201.255121 0.0000 BFGS: 302 22:10:37 -201.255121 0.0000 BFGS: 303 22:10:38 -201.255121 0.0000 BFGS: 304 22:10:39 -201.255121 0.0000 BFGS: 305 22:10:39 -201.255121 0.0000 BFGS: 306 22:10:40 -201.255121 0.0000 BFGS: 307 22:10:41 -201.255121 0.0000 BFGS: 308 22:10:41 -201.255121 0.0000 BFGS: 309 22:10:42 -201.255121 0.0000 BFGS: 310 22:10:42 -201.255121 0.0000 BFGS: 311 22:10:43 -201.255121 0.0000 BFGS: 312 22:10:44 -201.255121 0.0000 BFGS: 313 22:10:44 -201.255121 0.0000 BFGS: 314 22:10:45 -201.255121 0.0000 BFGS: 315 22:10:45 -201.255121 0.0000 BFGS: 316 22:10:46 -201.255121 0.0000 BFGS: 317 22:10:47 -201.255121 0.0000 BFGS: 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23:33:50 -201.255121 0.0000 BFGS: 9954 23:33:50 -201.255121 0.0000 BFGS: 9955 23:33:51 -201.255121 0.0000 BFGS: 9956 23:33:51 -201.255121 0.0000 BFGS: 9957 23:33:52 -201.255121 0.0000 BFGS: 9958 23:33:52 -201.255121 0.0000 BFGS: 9959 23:33:52 -201.255121 0.0000 BFGS: 9960 23:33:53 -201.255121 0.0000 BFGS: 9961 23:33:53 -201.255121 0.0000 BFGS: 9962 23:33:54 -201.255121 0.0000 BFGS: 9963 23:33:54 -201.255121 0.0000 BFGS: 9964 23:33:55 -201.255121 0.0000 BFGS: 9965 23:33:55 -201.255121 0.0000 BFGS: 9966 23:33:55 -201.255121 0.0000 BFGS: 9967 23:33:56 -201.255121 0.0000 BFGS: 9968 23:33:56 -201.255121 0.0000 BFGS: 9969 23:33:57 -201.255121 0.0000 BFGS: 9970 23:33:57 -201.255121 0.0000 BFGS: 9971 23:33:57 -201.255121 0.0000 BFGS: 9972 23:33:58 -201.255121 0.0000 BFGS: 9973 23:33:58 -201.255121 0.0000 BFGS: 9974 23:33:59 -201.255121 0.0000 BFGS: 9975 23:33:59 -201.255121 0.0000 BFGS: 9976 23:34:00 -201.255121 0.0000 BFGS: 9977 23:34:00 -201.255121 0.0000 BFGS: 9978 23:34:00 -201.255121 0.0000 BFGS: 9979 23:34:01 -201.255121 0.0000 BFGS: 9980 23:34:01 -201.255121 0.0000 BFGS: 9981 23:34:02 -201.255121 0.0000 BFGS: 9982 23:34:02 -201.255121 0.0000 BFGS: 9983 23:34:02 -201.255121 0.0000 BFGS: 9984 23:34:03 -201.255121 0.0000 BFGS: 9985 23:34:03 -201.255121 0.0000 BFGS: 9986 23:34:03 -201.255121 0.0000 BFGS: 9987 23:34:04 -201.255121 0.0000 BFGS: 9988 23:34:04 -201.255121 0.0000 BFGS: 9989 23:34:04 -201.255121 0.0000 BFGS: 9990 23:34:05 -201.255121 0.0000 BFGS: 9991 23:34:05 -201.255121 0.0000 BFGS: 9992 23:34:06 -201.255121 0.0000 BFGS: 9993 23:34:07 -201.255121 0.0000 BFGS: 9994 23:34:07 -201.255121 0.0000 BFGS: 9995 23:34:07 -201.255121 0.0000 BFGS: 9996 23:34:08 -201.255121 0.0000 BFGS: 9997 23:34:08 -201.255121 0.0000 BFGS: 9998 23:34:09 -201.255121 0.0000 BFGS: 9999 23:34:09 -201.255121 0.0000 BFGS: 10000 23:34:10 -201.255121 0.0000 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 5.912743393967048e-06 eV/Angstrom Maximum stress component: 1.9280646251644099e-07 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.99653752 0.24659148 0.97850141] [0.00346248 0.75340852 0.02149859] [0.70089876 0.92909113 0.26424797] [0.29910124 0.07090887 0.73575203] [0.71937089 0.4133171 0.26714545] [0.28062911 0.5866829 0.73285455] [0.10990758 0.26928956 0.66143708] [0.89009242 0.73071044 0.33856292] [0.07375238 0.76598118 0.69063173] [0.92624762 0.23401882 0.30936827] [0.20554081 0.05239781 0.02673734] [0.79445919 0.94760219 0.97326266] [0.19430811 0.55534578 0.02627645] [0.80569189 0.44465422 0.97372355] [0.52643293 0.13729692 0.21710173] [0.47356707 0.86270308 0.78289827] [0.51078295 0.57701805 0.21567426] [0.48921705 0.42298195 0.78432574] [0.23619796 0.12469688 0.38951065] [0.76380204 0.87530312 0.61048935] [0.21902274 0.48345901 0.38484112] [0.78097726 0.51654099 0.61515888] [0.32480844 0.82424981 0.26554539] [0.67519156 0.17575019 0.73445461] [0.32294099 0.0389045 0.2199478 ] [0.67705901 0.9610955 0.7800522 ] [0.31261363 0.60792949 0.21948746] [0.68738637 0.39207051 0.78051254] [0.11263445 0.27526645 0.43730943] [0.88736555 0.72473355 0.56269057]] cellpar = Cell([[7.777155288407925, 0.12257416364927211, -0.012594091994394851], [-1.5566093225139788, 7.216693398694548, 0.05730790200384996], [-0.6664705213808718, -0.12744095203985006, 7.236521245758829]]) forces = [[ 1.33426527e-06 7.87372066e-07 5.81754703e-07] [-1.33426527e-06 -7.87372066e-07 -5.81754703e-07] [ 5.29697106e-06 6.40937285e-08 5.91274339e-06] [-5.29697106e-06 -6.40937285e-08 -5.91274339e-06] [ 9.05064211e-09 3.38206236e-07 -5.63385461e-07] [-9.05064211e-09 -3.38206236e-07 5.63385461e-07] [ 1.88958481e-07 5.82127683e-07 5.64540240e-07] [-1.88958481e-07 -5.82127683e-07 -5.64540240e-07] [-7.60791660e-07 -1.11186257e-07 6.99658435e-07] [ 7.60791660e-07 1.11186257e-07 -6.99658435e-07] [-1.66075381e-06 9.61140104e-09 -1.70242104e-07] [ 1.66075381e-06 -9.61140104e-09 1.70242104e-07] [-4.53147848e-07 6.16024053e-07 -1.55128632e-07] [ 4.53147848e-07 -6.16024053e-07 1.55128632e-07] [ 8.00697699e-07 -1.08390429e-07 -8.16948186e-07] [-8.00697699e-07 1.08390429e-07 8.16948186e-07] [ 5.95779379e-07 1.41007137e-06 -6.12392449e-07] [-5.95779379e-07 -1.41007137e-06 6.12392449e-07] [ 5.94532460e-07 7.99383403e-07 7.43016130e-07] [-5.94532460e-07 -7.99383403e-07 -7.43016130e-07] [ 1.18628197e-06 1.37826728e-06 -8.77060687e-07] [-1.18628197e-06 -1.37826728e-06 8.77060687e-07] [-4.16240539e-07 4.57931607e-07 -2.09460360e-07] [ 4.16240539e-07 -4.57931607e-07 2.09460360e-07] [ 3.34368829e-07 8.06130727e-07 -7.64127213e-07] [-3.34368829e-07 -8.06130727e-07 7.64127213e-07] [ 5.32082223e-07 9.39431068e-07 -9.03208010e-07] [-5.32082223e-07 -9.39431068e-07 9.03208010e-07] [-5.07399375e-07 1.61166459e-06 2.84463590e-07] [ 5.07399375e-07 -1.61166459e-06 -2.84463590e-07]] stress = [-2.79021906e-08 -1.92806463e-07 -7.98951209e-08 4.58090051e-08 1.44732079e-07 8.65016761e-10] energy per atom = -6.607073727974138 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['Ca', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.75709148 0.00111473 0.73598857] [0.92299988 0.33483882 0.57277016] [0.26673272 0.35208259 0.90731832] [0.23178876 0.40353274 0.54135229] [0.61239375 0.26425051 0.63625742] [0.49465368 0.13777657 0.36197599] [0.6548869 0.90512925 0.11523013] [0.89834602 0.94027959 0.3712392 ] [0.80847639 0.1347392 0.0451541 ] [0.88477946 0.40443359 0.91223543] [0.0272644 0.25524213 0.23252552] [0.59809072 0.3866145 0.25192747] [0.47912857 0.30143537 0.45477333] [0.72490732 0.01573769 0.22911936] [0.83857573 0.29268957 0.10637066]] spacegroup = 2 cell = [[6.7775, 0, 0], [3.2452384600694, 8.7906027999954, 0], [1.6348405461644, 0.20848250781836, 6.5342638944682]] ========================================= Step Time Energy fmax BFGS: 0 23:34:13 -169.632059 38.7598 BFGS: 1 23:34:13 -184.165660 85.1885 BFGS: 2 23:34:14 -195.467043 32.8518 BFGS: 3 23:34:14 -197.229010 4.0752 BFGS: 4 23:34:14 -197.741819 3.0606 BFGS: 5 23:34:15 -198.354473 3.5378 BFGS: 6 23:34:16 -198.570775 5.8277 BFGS: 7 23:34:16 -198.788955 3.3844 BFGS: 8 23:34:16 -198.947259 2.7869 BFGS: 9 23:34:16 -199.012396 1.6756 BFGS: 10 23:34:16 -199.072215 2.4712 BFGS: 11 23:34:16 -199.106218 1.0178 BFGS: 12 23:34:17 -199.123876 0.6614 BFGS: 13 23:34:17 -199.153593 1.4147 BFGS: 14 23:34:18 -199.171795 0.9605 BFGS: 15 23:34:18 -199.199886 0.5449 BFGS: 16 23:34:18 -199.214959 0.2494 BFGS: 17 23:34:19 -199.244896 0.7257 BFGS: 18 23:34:19 -199.267109 0.7967 BFGS: 19 23:34:19 -199.288854 0.5592 BFGS: 20 23:34:19 -199.312400 0.2737 BFGS: 21 23:34:19 -199.335592 0.6637 BFGS: 22 23:34:19 -199.357550 0.8646 BFGS: 23 23:34:19 -199.377964 0.7210 BFGS: 24 23:34:20 -199.398749 0.4879 BFGS: 25 23:34:21 -199.419738 0.2550 BFGS: 26 23:34:21 -199.441820 0.4595 BFGS: 27 23:34:21 -199.463868 0.8137 BFGS: 28 23:34:22 -199.479660 0.9594 BFGS: 29 23:34:22 -199.492519 0.9489 BFGS: 30 23:34:23 -199.500403 0.8117 BFGS: 31 23:34:23 -199.516163 0.2332 BFGS: 32 23:34:23 -199.524107 0.1778 BFGS: 33 23:34:24 -199.533734 0.3002 BFGS: 34 23:34:24 -199.540998 0.2459 BFGS: 35 23:34:25 -199.549751 0.3316 BFGS: 36 23:34:25 -199.559336 0.2683 BFGS: 37 23:34:25 -199.567659 0.1482 BFGS: 38 23:34:25 -199.573953 0.1608 BFGS: 39 23:34:25 -199.578419 0.1945 BFGS: 40 23:34:25 -199.586570 0.2792 BFGS: 41 23:34:25 -199.591389 0.1509 BFGS: 42 23:34:26 -199.595565 0.2075 BFGS: 43 23:34:26 -199.598538 0.3209 BFGS: 44 23:34:26 -199.601519 0.3690 BFGS: 45 23:34:26 -199.604663 0.3458 BFGS: 46 23:34:26 -199.607246 0.2793 BFGS: 47 23:34:26 -199.609544 0.1419 BFGS: 48 23:34:26 -199.611344 0.1635 BFGS: 49 23:34:27 -199.613418 0.4410 BFGS: 50 23:34:27 -199.616241 0.3914 BFGS: 51 23:34:28 -199.618906 0.3153 BFGS: 52 23:34:28 -199.620659 0.1174 BFGS: 53 23:34:28 -199.622278 0.0945 BFGS: 54 23:34:29 -199.623584 0.2175 BFGS: 55 23:34:29 -199.624896 0.2042 BFGS: 56 23:34:29 -199.626348 0.1217 BFGS: 57 23:34:29 -199.627386 0.0964 BFGS: 58 23:34:29 -199.628468 0.1539 BFGS: 59 23:34:30 -199.629703 0.1713 BFGS: 60 23:34:30 -199.630870 0.1269 BFGS: 61 23:34:31 -199.631817 0.0603 BFGS: 62 23:34:31 -199.632590 0.0527 BFGS: 63 23:34:32 -199.633318 0.0693 BFGS: 64 23:34:32 -199.634072 0.0772 BFGS: 65 23:34:32 -199.634723 0.0508 BFGS: 66 23:34:32 -199.635191 0.0599 BFGS: 67 23:34:33 -199.635612 0.0732 BFGS: 68 23:34:33 -199.636131 0.0758 BFGS: 69 23:34:34 -199.636682 0.0677 BFGS: 70 23:34:34 -199.637046 0.0454 BFGS: 71 23:34:35 -199.637155 0.0900 BFGS: 72 23:34:35 -199.637306 0.0445 BFGS: 73 23:34:36 -199.637456 0.0152 BFGS: 74 23:34:36 -199.637592 0.0428 BFGS: 75 23:34:37 -199.637787 0.0220 BFGS: 76 23:34:37 -199.637828 0.0274 BFGS: 77 23:34:37 -199.637871 0.0174 BFGS: 78 23:34:38 -199.637913 0.0095 BFGS: 79 23:34:38 -199.637947 0.0103 BFGS: 80 23:34:39 -199.637990 0.0084 BFGS: 81 23:34:39 -199.638018 0.0255 BFGS: 82 23:34:39 -199.638057 0.0232 BFGS: 83 23:34:40 -199.638134 0.0240 BFGS: 84 23:34:40 -199.638158 0.0132 BFGS: 85 23:34:40 -199.638187 0.0106 BFGS: 86 23:34:41 -199.638194 0.0241 BFGS: 87 23:34:41 -199.638242 0.0101 BFGS: 88 23:34:42 -199.638273 0.0100 BFGS: 89 23:34:43 -199.638289 0.0182 BFGS: 90 23:34:43 -199.638309 0.0141 BFGS: 91 23:34:43 -199.638304 0.0135 BFGS: 92 23:34:44 -199.638301 0.0182 BFGS: 93 23:34:44 -199.638288 0.0240 BFGS: 94 23:34:44 -199.638289 0.0252 BFGS: 95 23:34:45 -199.638287 0.0231 BFGS: 96 23:34:45 -199.638316 0.0210 BFGS: 97 23:34:46 -199.638377 0.0119 BFGS: 98 23:34:46 -199.638392 0.0103 BFGS: 99 23:34:46 -199.638409 0.0094 BFGS: 100 23:34:47 -199.638406 0.0085 BFGS: 101 23:34:47 -199.638387 0.0167 BFGS: 102 23:34:47 -199.638395 0.0168 BFGS: 103 23:34:47 -199.638396 0.0101 BFGS: 104 23:34:48 -199.638415 0.0093 BFGS: 105 23:34:48 -199.638443 0.0159 BFGS: 106 23:34:48 -199.638449 0.0086 BFGS: 107 23:34:49 -199.638459 0.0089 BFGS: 108 23:34:49 -199.638477 0.0094 BFGS: 109 23:34:50 -199.638476 0.0119 BFGS: 110 23:34:50 -199.638482 0.0119 BFGS: 111 23:34:51 -199.638481 0.0099 BFGS: 112 23:34:51 -199.638489 0.0092 BFGS: 113 23:34:51 -199.638480 0.0120 BFGS: 114 23:34:52 -199.638491 0.0121 BFGS: 115 23:34:52 -199.638473 0.0116 BFGS: 116 23:34:53 -199.638493 0.0093 BFGS: 117 23:34:53 -199.638474 0.0127 BFGS: 118 23:34:53 -199.638496 0.0127 BFGS: 119 23:34:54 -199.638460 0.0138 BFGS: 120 23:34:54 -199.638494 0.0097 BFGS: 121 23:34:55 -199.638466 0.0133 BFGS: 122 23:34:55 -199.638500 0.0132 BFGS: 123 23:34:56 -199.638446 0.0162 BFGS: 124 23:34:56 -199.638493 0.0102 BFGS: 125 23:34:57 -199.638459 0.0140 BFGS: 126 23:34:57 -199.638503 0.0137 BFGS: 127 23:34:58 -199.638432 0.0184 BFGS: 128 23:34:58 -199.638491 0.0106 BFGS: 129 23:34:58 -199.638453 0.0146 BFGS: 130 23:34:59 -199.638506 0.0140 BFGS: 131 23:34:59 -199.638418 0.0205 BFGS: 132 23:34:59 -199.638489 0.0110 BFGS: 133 23:34:59 -199.638447 0.0151 BFGS: 134 23:34:59 -199.638509 0.0143 BFGS: 135 23:34:59 -199.638404 0.0223 BFGS: 136 23:34:59 -199.638487 0.0113 BFGS: 137 23:34:59 -199.638442 0.0157 BFGS: 138 23:34:59 -199.638512 0.0146 BFGS: 139 23:35:00 -199.638391 0.0240 BFGS: 140 23:35:00 -199.638485 0.0117 BFGS: 141 23:35:00 -199.638437 0.0161 BFGS: 142 23:35:01 -199.638514 0.0148 BFGS: 143 23:35:01 -199.638378 0.0256 BFGS: 144 23:35:02 -199.638483 0.0119 BFGS: 145 23:35:02 -199.638433 0.0165 BFGS: 146 23:35:03 -199.638516 0.0151 BFGS: 147 23:35:03 -199.638365 0.0271 BFGS: 148 23:35:03 -199.638480 0.0122 BFGS: 149 23:35:04 -199.638429 0.0169 BFGS: 150 23:35:04 -199.638519 0.0153 BFGS: 151 23:35:05 -199.638352 0.0285 BFGS: 152 23:35:05 -199.638478 0.0125 BFGS: 153 23:35:05 -199.638425 0.0172 BFGS: 154 23:35:06 -199.638520 0.0083 BFGS: 155 23:35:06 -199.638497 0.0148 BFGS: 156 23:35:07 -199.638513 0.0141 BFGS: 157 23:35:07 -199.638335 0.0350 BFGS: 158 23:35:08 -199.638479 0.0127 BFGS: 159 23:35:09 -199.638421 0.0175 BFGS: 160 23:35:09 -199.638522 0.0083 BFGS: 161 23:35:10 -199.638498 0.0150 BFGS: 162 23:35:10 -199.638515 0.0142 BFGS: 163 23:35:10 -199.638318 0.0385 BFGS: 164 23:35:10 -199.638478 0.0131 BFGS: 165 23:35:10 -199.638417 0.0178 BFGS: 166 23:35:10 -199.638524 0.0083 BFGS: 167 23:35:10 -199.638498 0.0152 BFGS: 168 23:35:11 -199.638516 0.0143 BFGS: 169 23:35:12 -199.638302 0.0416 BFGS: 170 23:35:12 -199.638476 0.0135 BFGS: 171 23:35:12 -199.638412 0.0181 BFGS: 172 23:35:13 -199.638525 0.0083 BFGS: 173 23:35:13 -199.638498 0.0153 BFGS: 174 23:35:13 -199.638518 0.0144 BFGS: 175 23:35:13 -199.638284 0.0447 BFGS: 176 23:35:13 -199.638474 0.0140 BFGS: 177 23:35:13 -199.638409 0.0183 BFGS: 178 23:35:14 -199.638526 0.0083 BFGS: 179 23:35:14 -199.638498 0.0154 BFGS: 180 23:35:15 -199.638519 0.0145 BFGS: 181 23:35:15 -199.638266 0.0477 BFGS: 182 23:35:16 -199.638471 0.0144 BFGS: 183 23:35:16 -199.638405 0.0184 BFGS: 184 23:35:16 -199.638526 0.0082 BFGS: 185 23:35:17 -199.638499 0.0155 BFGS: 186 23:35:17 -199.638521 0.0146 BFGS: 187 23:35:18 -199.638248 0.0506 BFGS: 188 23:35:18 -199.638469 0.0148 BFGS: 189 23:35:18 -199.638402 0.0186 BFGS: 190 23:35:19 -199.638527 0.0082 BFGS: 191 23:35:20 -199.638499 0.0156 BFGS: 192 23:35:20 -199.638522 0.0146 BFGS: 193 23:35:21 -199.638229 0.0535 BFGS: 194 23:35:21 -199.638467 0.0152 BFGS: 195 23:35:22 -199.638399 0.0187 BFGS: 196 23:35:22 -199.638527 0.0082 BFGS: 197 23:35:23 -199.638499 0.0157 BFGS: 198 23:35:23 -199.638523 0.0147 BFGS: 199 23:35:24 -199.638210 0.0563 BFGS: 200 23:35:24 -199.638464 0.0156 BFGS: 201 23:35:25 -199.638396 0.0189 BFGS: 202 23:35:25 -199.638528 0.0083 BFGS: 203 23:35:26 -199.638499 0.0158 BFGS: 204 23:35:26 -199.638524 0.0148 BFGS: 205 23:35:26 -199.638191 0.0591 BFGS: 206 23:35:27 -199.638462 0.0160 BFGS: 207 23:35:27 -199.638394 0.0190 BFGS: 208 23:35:28 -199.638528 0.0083 BFGS: 209 23:35:28 -199.638500 0.0159 BFGS: 210 23:35:29 -199.638525 0.0149 BFGS: 211 23:35:29 -199.638171 0.0618 BFGS: 212 23:35:30 -199.638460 0.0164 BFGS: 213 23:35:30 -199.638392 0.0191 BFGS: 214 23:35:31 -199.638528 0.0083 BFGS: 215 23:35:31 -199.638500 0.0160 BFGS: 216 23:35:31 -199.638527 0.0150 BFGS: 217 23:35:32 -199.638152 0.0645 BFGS: 218 23:35:33 -199.638458 0.0167 BFGS: 219 23:35:33 -199.638390 0.0192 BFGS: 220 23:35:33 -199.638529 0.0084 BFGS: 221 23:35:34 -199.638500 0.0161 BFGS: 222 23:35:34 -199.638528 0.0151 BFGS: 223 23:35:35 -199.638131 0.0672 BFGS: 224 23:35:36 -199.638455 0.0171 BFGS: 225 23:35:36 -199.638389 0.0192 BFGS: 226 23:35:36 -199.638529 0.0084 BFGS: 227 23:35:37 -199.638501 0.0162 BFGS: 228 23:35:37 -199.638529 0.0152 BFGS: 229 23:35:38 -199.638112 0.0697 BFGS: 230 23:35:38 -199.638453 0.0175 BFGS: 231 23:35:39 -199.638388 0.0193 BFGS: 232 23:35:39 -199.638529 0.0084 BFGS: 233 23:35:39 -199.638501 0.0162 BFGS: 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0.0135 BFGS: 998 23:40:41 -199.638533 0.0151 BFGS: 999 23:40:41 -199.637435 0.0630 BFGS: 1000 23:40:41 -199.638409 0.0149 BFGS: 1001 23:40:42 -199.638404 0.0149 BFGS: 1002 23:40:42 -199.638520 0.0087 BFGS: 1003 23:40:43 -199.638523 0.0151 BFGS: 1004 23:40:43 -199.638535 0.0081 BFGS: 1005 23:40:43 -199.638543 0.0078 BFGS: 1006 23:40:43 -199.638143 0.0427 BFGS: 1007 23:40:44 -199.638435 0.0142 BFGS: 1008 23:40:44 -199.637569 0.0421 BFGS: 1009 23:40:45 -199.638450 0.0119 BFGS: 1010 23:40:45 -199.638363 0.0181 BFGS: 1011 23:40:45 -199.638538 0.0082 BFGS: 1012 23:40:46 -199.638492 0.0135 BFGS: 1013 23:40:46 -199.638533 0.0151 BFGS: 1014 23:40:47 -199.637442 0.0626 BFGS: 1015 23:40:47 -199.638409 0.0149 BFGS: 1016 23:40:48 -199.638403 0.0149 BFGS: 1017 23:40:48 -199.638520 0.0087 BFGS: 1018 23:40:48 -199.638522 0.0151 BFGS: 1019 23:40:49 -199.638535 0.0081 BFGS: 1020 23:40:49 -199.638544 0.0078 BFGS: 1021 23:40:49 -199.638143 0.0427 BFGS: 1022 23:40:50 -199.638435 0.0142 BFGS: 1023 23:40:50 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0.0615 BFGS: 1075 23:41:12 -199.638409 0.0147 BFGS: 1076 23:41:12 -199.638399 0.0149 BFGS: 1077 23:41:12 -199.638521 0.0087 BFGS: 1078 23:41:13 -199.638520 0.0150 BFGS: 1079 23:41:13 -199.638536 0.0081 BFGS: 1080 23:41:13 -199.638544 0.0078 BFGS: 1081 23:41:14 -199.638140 0.0428 BFGS: 1082 23:41:14 -199.638433 0.0142 BFGS: 1083 23:41:14 -199.637600 0.0412 BFGS: 1084 23:41:15 -199.638450 0.0119 BFGS: 1085 23:41:15 -199.638357 0.0185 BFGS: 1086 23:41:16 -199.638539 0.0082 BFGS: 1087 23:41:16 -199.638489 0.0135 BFGS: 1088 23:41:16 -199.638531 0.0150 BFGS: 1089 23:41:17 -199.637471 0.0612 BFGS: 1090 23:41:17 -199.638409 0.0147 BFGS: 1091 23:41:18 -199.638398 0.0149 BFGS: 1092 23:41:18 -199.638521 0.0087 BFGS: 1093 23:41:18 -199.638520 0.0150 BFGS: 1094 23:41:19 -199.638536 0.0081 BFGS: 1095 23:41:19 -199.638545 0.0078 BFGS: 1096 23:41:20 -199.638138 0.0428 BFGS: 1097 23:41:20 -199.638433 0.0142 BFGS: 1098 23:41:20 -199.637607 0.0410 BFGS: 1099 23:41:21 -199.638451 0.0119 BFGS: 1100 23:41:22 -199.638356 0.0186 BFGS: 1101 23:41:22 -199.638539 0.0082 BFGS: 1102 23:41:22 -199.638488 0.0136 BFGS: 1103 23:41:22 -199.638530 0.0150 BFGS: 1104 23:41:23 -199.637477 0.0609 BFGS: 1105 23:41:23 -199.638410 0.0146 BFGS: 1106 23:41:24 -199.638397 0.0149 BFGS: 1107 23:41:24 -199.638521 0.0086 BFGS: 1108 23:41:25 -199.638519 0.0150 BFGS: 1109 23:41:25 -199.638537 0.0081 BFGS: 1110 23:41:26 -199.638545 0.0160 BFGS: 1111 23:41:26 -199.638540 0.0079 BFGS: 1112 23:41:27 -199.638542 0.0078 BFGS: 1113 23:41:27 -199.638136 0.0588 BFGS: 1114 23:41:27 -199.638437 0.0159 BFGS: 1115 23:41:28 -199.637710 0.0320 BFGS: 1116 23:41:28 -199.638448 0.0121 BFGS: 1117 23:41:29 -199.638339 0.0260 BFGS: 1118 23:41:29 -199.638541 0.0080 BFGS: 1119 23:41:30 -199.638483 0.0135 BFGS: 1120 23:41:30 -199.638527 0.0142 BFGS: 1121 23:41:30 -199.637513 0.0375 BFGS: 1122 23:41:31 -199.638409 0.0133 BFGS: 1123 23:41:31 -199.638386 0.0178 BFGS: 1124 23:41:32 -199.638523 0.0087 BFGS: 1125 23:41:32 -199.638515 0.0139 BFGS: 1126 23:41:33 -199.638538 0.0080 BFGS: 1127 23:41:33 -199.638541 0.0152 BFGS: 1128 23:41:34 -199.638542 0.0078 BFGS: 1129 23:41:34 -199.638544 0.0078 BFGS: 1130 23:41:35 -199.638140 0.0657 BFGS: 1131 23:41:35 -199.638438 0.0172 BFGS: 1132 23:41:36 -199.637785 0.0326 BFGS: 1133 23:41:36 -199.638447 0.0132 BFGS: 1134 23:41:37 -199.638321 0.0321 BFGS: 1135 23:41:37 -199.638543 0.0078 BFGS: 1136 23:41:38 -199.638477 0.0135 BFGS: 1137 23:41:38 -199.638523 0.0135 BFGS: 1138 23:41:38 -199.637561 0.0355 BFGS: 1139 23:41:39 -199.638410 0.0132 BFGS: 1140 23:41:39 -199.638373 0.0213 BFGS: 1141 23:41:40 -199.638525 0.0087 BFGS: 1142 23:41:40 -199.638509 0.0134 BFGS: 1143 23:41:40 -199.638541 0.0078 BFGS: 1144 23:41:41 -199.638537 0.0146 BFGS: 1145 23:41:41 -199.638544 0.0077 BFGS: 1146 23:41:42 -199.638543 0.0148 BFGS: 1147 23:41:42 -199.638545 0.0077 BFGS: 1148 23:41:43 -199.638545 0.0147 BFGS: 1149 23:41:43 -199.638545 0.0077 BFGS: 1150 23:41:44 -199.638545 0.0078 BFGS: 1151 23:41:44 -199.638415 0.0906 BFGS: 1152 23:41:45 -199.638514 0.0199 BFGS: 1153 23:41:45 -199.638414 0.0941 BFGS: 1154 23:41:46 -199.638514 0.0319 BFGS: 1155 23:41:47 -199.638389 0.0925 BFGS: 1156 23:41:47 -199.638535 0.0129 BFGS: 1157 23:41:47 -199.638402 0.0967 BFGS: 1158 23:41:48 -199.638504 0.0369 BFGS: 1159 23:41:48 -199.638370 0.0964 BFGS: 1160 23:41:49 -199.638540 0.0129 BFGS: 1161 23:41:50 -199.638390 0.0971 BFGS: 1162 23:41:50 -199.638499 0.0376 BFGS: 1163 23:41:51 -199.638357 0.0990 BFGS: 1164 23:41:51 -199.638542 0.0128 BFGS: 1165 23:41:52 -199.638379 0.0972 BFGS: 1166 23:41:52 -199.638495 0.0376 BFGS: 1167 23:41:53 -199.638345 0.1013 BFGS: 1168 23:41:53 -199.638543 0.0128 BFGS: 1169 23:41:54 -199.638368 0.0972 BFGS: 1170 23:41:55 -199.638491 0.0374 BFGS: 1171 23:41:55 -199.638334 0.1032 BFGS: 1172 23:41:55 -199.638544 0.0128 BFGS: 1173 23:41:56 -199.638357 0.0970 BFGS: 1174 23:41:56 -199.638487 0.0372 BFGS: 1175 23:41:56 -199.638323 0.1049 BFGS: 1176 23:41:57 -199.638545 0.0128 BFGS: 1177 23:41:57 -199.638347 0.0967 BFGS: 1178 23:41:57 -199.638484 0.0369 BFGS: 1179 23:41:58 -199.638313 0.1063 BFGS: 1180 23:41:59 -199.638545 0.0095 BFGS: 1181 23:42:00 -199.638497 0.0278 BFGS: 1182 23:42:00 -199.638530 0.0140 BFGS: 1183 23:42:01 -199.638320 0.0990 BFGS: 1184 23:42:01 -199.638482 0.0356 BFGS: 1185 23:42:02 -199.638298 0.1072 BFGS: 1186 23:42:03 -199.638545 0.0128 BFGS: 1187 23:42:03 -199.638322 0.0956 BFGS: 1188 23:42:04 -199.638477 0.0361 BFGS: 1189 23:42:04 -199.638289 0.1083 BFGS: 1190 23:42:05 -199.638545 0.0098 BFGS: 1191 23:42:05 -199.638492 0.0287 BFGS: 1192 23:42:06 -199.638529 0.0143 BFGS: 1193 23:42:06 -199.638291 0.0982 BFGS: 1194 23:42:07 -199.638474 0.0350 BFGS: 1195 23:42:07 -199.638276 0.1085 BFGS: 1196 23:42:07 -199.638545 0.0099 BFGS: 1197 23:42:08 -199.638489 0.0291 BFGS: 1198 23:42:08 -199.638527 0.0146 BFGS: 1199 23:42:09 -199.638275 0.0974 BFGS: 1200 23:42:09 -199.638471 0.0346 BFGS: 1201 23:42:09 -199.638264 0.1085 BFGS: 1202 23:42:09 -199.638545 0.0098 BFGS: 1203 23:42:10 -199.638486 0.0293 BFGS: 1204 23:42:11 -199.638526 0.0146 BFGS: 1205 23:42:11 -199.638257 0.0966 BFGS: 1206 23:42:11 -199.638467 0.0342 BFGS: 1207 23:42:12 -199.638253 0.1082 BFGS: 1208 23:42:12 -199.638545 0.0097 BFGS: 1209 23:42:13 -199.638483 0.0293 BFGS: 1210 23:42:13 -199.638525 0.0146 BFGS: 1211 23:42:13 -199.638240 0.0955 BFGS: 1212 23:42:14 -199.638463 0.0338 BFGS: 1213 23:42:14 -199.638243 0.1075 BFGS: 1214 23:42:14 -199.638545 0.0096 BFGS: 1215 23:42:15 -199.638481 0.0292 BFGS: 1216 23:42:15 -199.638525 0.0146 BFGS: 1217 23:42:16 -199.638222 0.0943 BFGS: 1218 23:42:16 -199.638459 0.0333 BFGS: 1219 23:42:16 -199.638235 0.1064 BFGS: 1220 23:42:17 -199.638545 0.0095 BFGS: 1221 23:42:17 -199.638479 0.0291 BFGS: 1222 23:42:17 -199.638524 0.0145 BFGS: 1223 23:42:18 -199.638204 0.0929 BFGS: 1224 23:42:18 -199.638455 0.0327 BFGS: 1225 23:42:19 -199.638228 0.1050 BFGS: 1226 23:42:19 -199.638545 0.0093 BFGS: 1227 23:42:19 -199.638477 0.0288 BFGS: 1228 23:42:19 -199.638524 0.0144 BFGS: 1229 23:42:19 -199.638186 0.0913 BFGS: 1230 23:42:19 -199.638452 0.0321 BFGS: 1231 23:42:19 -199.638222 0.1033 BFGS: 1232 23:42:19 -199.638544 0.0092 BFGS: 1233 23:42:19 -199.638475 0.0285 BFGS: 1234 23:42:20 -199.638523 0.0143 BFGS: 1235 23:42:20 -199.638168 0.0897 BFGS: 1236 23:42:21 -199.638448 0.0315 BFGS: 1237 23:42:21 -199.638218 0.1013 BFGS: 1238 23:42:22 -199.638544 0.0090 BFGS: 1239 23:42:22 -199.638474 0.0281 BFGS: 1240 23:42:23 -199.638523 0.0142 BFGS: 1241 23:42:23 -199.638149 0.0879 BFGS: 1242 23:42:23 -199.638444 0.0308 BFGS: 1243 23:42:24 -199.638215 0.0990 BFGS: 1244 23:42:24 -199.638544 0.0089 BFGS: 1245 23:42:25 -199.638472 0.0276 BFGS: 1246 23:42:25 -199.638523 0.0140 BFGS: 1247 23:42:26 -199.638129 0.0859 BFGS: 1248 23:42:26 -199.638441 0.0300 BFGS: 1249 23:42:27 -199.638213 0.0965 BFGS: 1250 23:42:28 -199.638544 0.0087 BFGS: 1251 23:42:28 -199.638472 0.0271 BFGS: 1252 23:42:28 -199.638523 0.0138 BFGS: 1253 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0.0163 BFGS: 1687 23:45:31 -199.637638 0.1281 BFGS: 1688 23:45:31 -199.638404 0.0297 BFGS: 1689 23:45:32 -199.638361 0.0187 BFGS: 1690 23:45:32 -199.638527 0.0084 BFGS: 1691 23:45:33 -199.638504 0.0170 BFGS: 1692 23:45:33 -199.638542 0.0079 BFGS: 1693 23:45:34 -199.638533 0.0165 BFGS: 1694 23:45:35 -199.638544 0.0164 BFGS: 1695 23:45:35 -199.637635 0.1313 BFGS: 1696 23:45:35 -199.638404 0.0303 BFGS: 1697 23:45:35 -199.638363 0.0192 BFGS: 1698 23:45:36 -199.638527 0.0084 BFGS: 1699 23:45:36 -199.638504 0.0173 BFGS: 1700 23:45:36 -199.638542 0.0080 BFGS: 1701 23:45:37 -199.638534 0.0167 BFGS: 1702 23:45:37 -199.638545 0.0165 BFGS: 1703 23:45:38 -199.637626 0.1344 BFGS: 1704 23:45:38 -199.638404 0.0309 BFGS: 1705 23:45:39 -199.638365 0.0197 BFGS: 1706 23:45:39 -199.638527 0.0084 BFGS: 1707 23:45:40 -199.638505 0.0175 BFGS: 1708 23:45:40 -199.638542 0.0080 BFGS: 1709 23:45:41 -199.638535 0.0168 BFGS: 1710 23:45:42 -199.638545 0.0080 BFGS: 1711 23:45:42 -199.638541 0.0164 BFGS: 1712 23:45:43 -199.638544 0.0162 BFGS: 1713 23:45:43 -199.637669 0.1604 BFGS: 1714 23:45:44 -199.638408 0.0377 BFGS: 1715 23:45:44 -199.638354 0.0253 BFGS: 1716 23:45:44 -199.638530 0.0083 BFGS: 1717 23:45:44 -199.638500 0.0189 BFGS: 1718 23:45:45 -199.638544 0.0083 BFGS: 1719 23:45:46 -199.638529 0.0173 BFGS: 1720 23:45:46 -199.638540 0.0168 BFGS: 1721 23:45:46 -199.637648 0.1590 BFGS: 1722 23:45:47 -199.638409 0.0365 BFGS: 1723 23:45:47 -199.638359 0.0247 BFGS: 1724 23:45:48 -199.638529 0.0083 BFGS: 1725 23:45:48 -199.638501 0.0189 BFGS: 1726 23:45:49 -199.638544 0.0083 BFGS: 1727 23:45:49 -199.638531 0.0174 BFGS: 1728 23:45:50 -199.638541 0.0170 BFGS: 1729 23:45:51 -199.637634 0.1606 BFGS: 1730 23:45:51 -199.638408 0.0365 BFGS: 1731 23:45:52 -199.638363 0.0247 BFGS: 1732 23:45:52 -199.638528 0.0083 BFGS: 1733 23:45:52 -199.638504 0.0190 BFGS: 1734 23:45:53 -199.638543 0.0083 BFGS: 1735 23:45:53 -199.638532 0.0175 BFGS: 1736 23:45:54 -199.638543 0.0171 BFGS: 1737 23:45:54 -199.637623 0.1627 BFGS: 1738 23:45:54 -199.638408 0.0368 BFGS: 1739 23:45:55 -199.638367 0.0249 BFGS: 1740 23:45:55 -199.638528 0.0084 BFGS: 1741 23:45:56 -199.638505 0.0192 BFGS: 1742 23:45:56 -199.638542 0.0083 BFGS: 1743 23:45:57 -199.638534 0.0177 BFGS: 1744 23:45:57 -199.638544 0.0172 BFGS: 1745 23:45:57 -199.637607 0.1649 BFGS: 1746 23:45:58 -199.638407 0.0371 BFGS: 1747 23:45:58 -199.638371 0.0251 BFGS: 1748 23:45:59 -199.638527 0.0084 BFGS: 1749 23:45:59 -199.638507 0.0193 BFGS: 1750 23:46:00 -199.638542 0.0083 BFGS: 1751 23:46:01 -199.638536 0.0178 BFGS: 1752 23:46:01 -199.638545 0.0084 BFGS: 1753 23:46:01 -199.638542 0.0171 BFGS: 1754 23:46:02 -199.638545 0.0169 BFGS: 1755 23:46:02 -199.637660 0.1928 BFGS: 1756 23:46:03 -199.638412 0.0442 BFGS: 1757 23:46:03 -199.638360 0.0322 BFGS: 1758 23:46:03 -199.638530 0.0083 BFGS: 1759 23:46:04 -199.638503 0.0210 BFGS: 1760 23:46:04 -199.638544 0.0087 BFGS: 1761 23:46:05 -199.638531 0.0184 BFGS: 1762 23:46:06 -199.638541 0.0177 BFGS: 1763 23:46:06 -199.637626 0.1909 BFGS: 1764 23:46:07 -199.638412 0.0428 BFGS: 1765 23:46:08 -199.638367 0.0312 BFGS: 1766 23:46:08 -199.638529 0.0083 BFGS: 1767 23:46:08 -199.638505 0.0210 BFGS: 1768 23:46:09 -199.638543 0.0087 BFGS: 1769 23:46:09 -199.638533 0.0185 BFGS: 1770 23:46:10 -199.638543 0.0178 BFGS: 1771 23:46:11 -199.637608 0.1920 BFGS: 1772 23:46:11 -199.638411 0.0426 BFGS: 1773 23:46:11 -199.638371 0.0308 BFGS: 1774 23:46:12 -199.638528 0.0084 BFGS: 1775 23:46:12 -199.638507 0.0210 BFGS: 1776 23:46:12 -199.638542 0.0087 BFGS: 1777 23:46:13 -199.638535 0.0186 BFGS: 1778 23:46:13 -199.638545 0.0089 BFGS: 1779 23:46:14 -199.638541 0.0177 BFGS: 1780 23:46:14 -199.638544 0.0175 BFGS: 1781 23:46:15 -199.637634 0.2206 BFGS: 1782 23:46:16 -199.638417 0.0495 BFGS: 1783 23:46:16 -199.638368 0.0385 BFGS: 1784 23:46:17 -199.638531 0.0083 BFGS: 1785 23:46:17 -199.638505 0.0228 BFGS: 1786 23:46:18 -199.638544 0.0090 BFGS: 1787 23:46:18 -199.638533 0.0193 BFGS: 1788 23:46:19 -199.638542 0.0182 BFGS: 1789 23:46:19 -199.637611 0.2188 BFGS: 1790 23:46:19 -199.638416 0.0481 BFGS: 1791 23:46:19 -199.638373 0.0371 BFGS: 1792 23:46:19 -199.638530 0.0083 BFGS: 1793 23:46:19 -199.638507 0.0227 BFGS: 1794 23:46:19 -199.638543 0.0090 BFGS: 1795 23:46:20 -199.638535 0.0194 BFGS: 1796 23:46:20 -199.638544 0.0184 BFGS: 1797 23:46:21 -199.637588 0.2193 BFGS: 1798 23:46:21 -199.638414 0.0478 BFGS: 1799 23:46:21 -199.638377 0.0364 BFGS: 1800 23:46:21 -199.638528 0.0084 BFGS: 1801 23:46:22 -199.638510 0.0226 BFGS: 1802 23:46:22 -199.638542 0.0089 BFGS: 1803 23:46:23 -199.638537 0.0194 BFGS: 1804 23:46:23 -199.638544 0.0092 BFGS: 1805 23:46:24 -199.638543 0.0183 BFGS: 1806 23:46:24 -199.638545 0.0180 BFGS: 1807 23:46:25 -199.637663 0.2363 BFGS: 1808 23:46:25 -199.638423 0.0533 BFGS: 1809 23:46:26 -199.638376 0.0444 BFGS: 1810 23:46:26 -199.638532 0.0082 BFGS: 1811 23:46:26 -199.638508 0.0245 BFGS: 1812 23:46:27 -199.638543 0.0094 BFGS: 1813 23:46:27 -199.638534 0.0202 BFGS: 1814 23:46:27 -199.638543 0.0189 BFGS: 1815 23:46:28 -199.637582 0.2465 BFGS: 1816 23:46:28 -199.638421 0.0528 BFGS: 1817 23:46:29 -199.638382 0.0424 BFGS: 1818 23:46:29 -199.638530 0.0083 BFGS: 1819 23:46:30 -199.638511 0.0242 BFGS: 1820 23:46:30 -199.638542 0.0092 BFGS: 1821 23:46:30 -199.638537 0.0201 BFGS: 1822 23:46:30 -199.638544 0.0095 BFGS: 1823 23:46:30 -199.638543 0.0188 BFGS: 1824 23:46:31 -199.638545 0.0184 BFGS: 1825 23:46:31 -199.637867 0.2230 BFGS: 1826 23:46:31 -199.638440 0.0538 BFGS: 1827 23:46:31 -199.638375 0.0513 BFGS: 1828 23:46:31 -199.638535 0.0081 BFGS: 1829 23:46:32 -199.638507 0.0264 BFGS: 1830 23:46:32 -199.638544 0.0197 BFGS: 1831 23:46:33 -199.637752 0.2329 BFGS: 1832 23:46:33 -199.638431 0.0536 BFGS: 1833 23:46:34 -199.638378 0.0484 BFGS: 1834 23:46:34 -199.638532 0.0082 BFGS: 1835 23:46:35 -199.638510 0.0262 BFGS: 1836 23:46:35 -199.638543 0.0102 BFGS: 1837 23:46:36 -199.638535 0.0213 BFGS: 1838 23:46:36 -199.638543 0.0198 BFGS: 1839 23:46:36 -199.637680 0.2453 BFGS: 1840 23:46:37 -199.638428 0.0542 BFGS: 1841 23:46:37 -199.638383 0.0473 BFGS: 1842 23:46:37 -199.638531 0.0082 BFGS: 1843 23:46:38 -199.638512 0.0259 BFGS: 1844 23:46:38 -199.638542 0.0099 BFGS: 1845 23:46:39 -199.638537 0.0211 BFGS: 1846 23:46:40 -199.638545 0.0103 BFGS: 1847 23:46:40 -199.638542 0.0197 BFGS: 1848 23:46:41 -199.638544 0.0192 BFGS: 1849 23:46:41 -199.638016 0.2008 BFGS: 1850 23:46:41 -199.638456 0.0517 BFGS: 1851 23:46:42 -199.638387 0.0555 BFGS: 1852 23:46:43 -199.638537 0.0079 BFGS: 1853 23:46:43 -199.638510 0.0277 BFGS: 1854 23:46:44 -199.638543 0.0204 BFGS: 1855 23:46:44 -199.637910 0.2172 BFGS: 1856 23:46:44 -199.638445 0.0531 BFGS: 1857 23:46:45 -199.638383 0.0538 BFGS: 1858 23:46:45 -199.638535 0.0080 BFGS: 1859 23:46:46 -199.638510 0.0277 BFGS: 1860 23:46:47 -199.638544 0.0110 BFGS: 1861 23:46:47 -199.638534 0.0222 BFGS: 1862 23:46:48 -199.638541 0.0206 BFGS: 1863 23:46:48 -199.637866 0.2264 BFGS: 1864 23:46:48 -199.638443 0.0538 BFGS: 1865 23:46:49 -199.638384 0.0532 BFGS: 1866 23:46:49 -199.638534 0.0081 BFGS: 1867 23:46:50 -199.638510 0.0276 BFGS: 1868 23:46:50 -199.638544 0.0109 BFGS: 1869 23:46:51 -199.638534 0.0221 BFGS: 1870 23:46:51 -199.638542 0.0205 BFGS: 1871 23:46:51 -199.637822 0.2353 BFGS: 1872 23:46:52 -199.638440 0.0548 BFGS: 1873 23:46:53 -199.638385 0.0525 BFGS: 1874 23:46:53 -199.638534 0.0081 BFGS: 1875 23:46:54 -199.638511 0.0274 BFGS: 1876 23:46:54 -199.638543 0.0107 BFGS: 1877 23:46:54 -199.638535 0.0220 BFGS: 1878 23:46:54 -199.638543 0.0204 BFGS: 1879 23:46:55 -199.637780 0.2429 BFGS: 1880 23:46:55 -199.638437 0.0556 BFGS: 1881 23:46:55 -199.638387 0.0518 BFGS: 1882 23:46:56 -199.638533 0.0082 BFGS: 1883 23:46:56 -199.638512 0.0272 BFGS: 1884 23:46:57 -199.638543 0.0105 BFGS: 1885 23:46:57 -199.638536 0.0219 BFGS: 1886 23:46:58 -199.638544 0.0203 BFGS: 1887 23:46:58 -199.637733 0.2516 BFGS: 1888 23:46:59 -199.638434 0.0564 BFGS: 1889 23:46:59 -199.638390 0.0509 BFGS: 1890 23:46:59 -199.638532 0.0082 BFGS: 1891 23:47:00 -199.638513 0.0269 BFGS: 1892 23:47:00 -199.638542 0.0102 BFGS: 1893 23:47:01 -199.638537 0.0218 BFGS: 1894 23:47:01 -199.638544 0.0107 BFGS: 1895 23:47:02 -199.638543 0.0202 BFGS: 1896 23:47:02 -199.638544 0.0197 BFGS: 1897 23:47:02 -199.638037 0.2066 BFGS: 1898 23:47:03 -199.638459 0.0532 BFGS: 1899 23:47:03 -199.638397 0.0580 BFGS: 1900 23:47:04 -199.638537 0.0080 BFGS: 1901 23:47:04 -199.638513 0.0285 BFGS: 1902 23:47:05 -199.638544 0.0112 BFGS: 1903 23:47:05 -199.638534 0.0225 BFGS: 1904 23:47:05 -199.638541 0.0207 BFGS: 1905 23:47:06 -199.637999 0.2140 BFGS: 1906 23:47:06 -199.638457 0.0536 BFGS: 1907 23:47:07 -199.638395 0.0575 BFGS: 1908 23:47:07 -199.638536 0.0080 BFGS: 1909 23:47:08 -199.638513 0.0285 BFGS: 1910 23:47:08 -199.638545 0.0112 BFGS: 1911 23:47:09 -199.638534 0.0225 BFGS: 1912 23:47:09 -199.638541 0.0207 BFGS: 1913 23:47:10 -199.637964 0.2216 BFGS: 1914 23:47:10 -199.638454 0.0546 BFGS: 1915 23:47:11 -199.638395 0.0570 BFGS: 1916 23:47:11 -199.638536 0.0080 BFGS: 1917 23:47:11 -199.638513 0.0284 BFGS: 1918 23:47:11 -199.638544 0.0111 BFGS: 1919 23:47:12 -199.638534 0.0225 BFGS: 1920 23:47:12 -199.638541 0.0207 BFGS: 1921 23:47:13 -199.637929 0.2290 BFGS: 1922 23:47:14 -199.638451 0.0556 BFGS: 1923 23:47:14 -199.638395 0.0566 BFGS: 1924 23:47:15 -199.638535 0.0081 BFGS: 1925 23:47:15 -199.638513 0.0283 BFGS: 1926 23:47:15 -199.638544 0.0110 BFGS: 1927 23:47:16 -199.638535 0.0224 BFGS: 1928 23:47:16 -199.638542 0.0206 BFGS: 1929 23:47:17 -199.637895 0.2360 BFGS: 1930 23:47:17 -199.638448 0.0564 BFGS: 1931 23:47:18 -199.638395 0.0561 BFGS: 1932 23:47:18 -199.638535 0.0081 BFGS: 1933 23:47:19 -199.638513 0.0282 BFGS: 1934 23:47:19 -199.638544 0.0108 BFGS: 1935 23:47:20 -199.638535 0.0224 BFGS: 1936 23:47:20 -199.638543 0.0206 BFGS: 1937 23:47:21 -199.637863 0.2416 BFGS: 1938 23:47:21 -199.638445 0.0571 BFGS: 1939 23:47:21 -199.638396 0.0555 BFGS: 1940 23:47:22 -199.638534 0.0081 BFGS: 1941 23:47:22 -199.638514 0.0281 BFGS: 1942 23:47:22 -199.638543 0.0107 BFGS: 1943 23:47:23 -199.638536 0.0223 BFGS: 1944 23:47:23 -199.638543 0.0205 BFGS: 1945 23:47:23 -199.637824 0.2504 BFGS: 1946 23:47:24 -199.638443 0.0579 BFGS: 1947 23:47:24 -199.638397 0.0549 BFGS: 1948 23:47:25 -199.638533 0.0082 BFGS: 1949 23:47:25 -199.638515 0.0279 BFGS: 1950 23:47:25 -199.638543 0.0105 BFGS: 1951 23:47:25 -199.638537 0.0222 BFGS: 1952 23:47:25 -199.638545 0.0204 BFGS: 1953 23:47:25 -199.637794 0.2542 BFGS: 1954 23:47:26 -199.638440 0.0584 BFGS: 1955 23:47:26 -199.638399 0.0543 BFGS: 1956 23:47:26 -199.638533 0.0082 BFGS: 1957 23:47:27 -199.638515 0.0278 BFGS: 1958 23:47:27 -199.638542 0.0104 BFGS: 1959 23:47:28 -199.638538 0.0222 BFGS: 1960 23:47:28 -199.638544 0.0110 BFGS: 1961 23:47:28 -199.638543 0.0206 BFGS: 1962 23:47:29 -199.638545 0.0200 BFGS: 1963 23:47:29 -199.638050 0.2145 BFGS: 1964 23:47:29 -199.638463 0.0551 BFGS: 1965 23:47:30 -199.638407 0.0601 BFGS: 1966 23:47:31 -199.638537 0.0080 BFGS: 1967 23:47:31 -199.638516 0.0290 BFGS: 1968 23:47:32 -199.638544 0.0111 BFGS: 1969 23:47:32 -199.638536 0.0227 BFGS: 1970 23:47:33 -199.638542 0.0208 BFGS: 1971 23:47:33 -199.638020 0.2205 BFGS: 1972 23:47:34 -199.638461 0.0554 BFGS: 1973 23:47:34 -199.638406 0.0596 BFGS: 1974 23:47:34 -199.638537 0.0080 BFGS: 1975 23:47:35 -199.638516 0.0290 BFGS: 1976 23:47:36 -199.638544 0.0111 BFGS: 1977 23:47:36 -199.638536 0.0227 BFGS: 1978 23:47:37 -199.638542 0.0208 BFGS: 1979 23:47:37 -199.637991 0.2268 BFGS: 1980 23:47:38 -199.638458 0.0562 BFGS: 1981 23:47:38 -199.638405 0.0593 BFGS: 1982 23:47:39 -199.638536 0.0081 BFGS: 1983 23:47:40 -199.638516 0.0289 BFGS: 1984 23:47:40 -199.638544 0.0111 BFGS: 1985 23:47:40 -199.638536 0.0227 BFGS: 1986 23:47:41 -199.638543 0.0208 BFGS: 1987 23:47:42 -199.637964 0.2329 BFGS: 1988 23:47:42 -199.638456 0.0571 BFGS: 1989 23:47:44 -199.638405 0.0589 BFGS: 1990 23:47:44 -199.638536 0.0081 BFGS: 1991 23:47:44 -199.638516 0.0289 BFGS: 1992 23:47:44 -199.638544 0.0110 BFGS: 1993 23:47:45 -199.638536 0.0227 BFGS: 1994 23:47:46 -199.638543 0.0208 BFGS: 1995 23:47:46 -199.637937 0.2387 BFGS: 1996 23:47:47 -199.638453 0.0578 BFGS: 1997 23:47:47 -199.638405 0.0585 BFGS: 1998 23:47:47 -199.638535 0.0081 BFGS: 1999 23:47:48 -199.638516 0.0288 BFGS: 2000 23:47:48 -199.638543 0.0109 BFGS: 2001 23:47:49 -199.638537 0.0226 BFGS: 2002 23:47:50 -199.638544 0.0207 BFGS: 2003 23:47:50 -199.637910 0.2443 BFGS: 2004 23:47:51 -199.638451 0.0584 BFGS: 2005 23:47:51 -199.638405 0.0581 BFGS: 2006 23:47:51 -199.638535 0.0081 BFGS: 2007 23:47:52 -199.638516 0.0287 BFGS: 2008 23:47:52 -199.638543 0.0108 BFGS: 2009 23:47:53 -199.638537 0.0226 BFGS: 2010 23:47:53 -199.638544 0.0207 BFGS: 2011 23:47:54 -199.637883 0.2496 BFGS: 2012 23:47:54 -199.638449 0.0590 BFGS: 2013 23:47:55 -199.638406 0.0576 BFGS: 2014 23:47:55 -199.638534 0.0082 BFGS: 2015 23:47:56 -199.638517 0.0286 BFGS: 2016 23:47:56 -199.638543 0.0107 BFGS: 2017 23:47:57 -199.638538 0.0226 BFGS: 2018 23:47:58 -199.638544 0.0114 BFGS: 2019 23:47:58 -199.638543 0.0209 BFGS: 2020 23:47:58 -199.638544 0.0204 BFGS: 2021 23:47:59 -199.638104 0.2098 BFGS: 2022 23:47:59 -199.638470 0.0548 BFGS: 2023 23:47:59 -199.638418 0.0618 BFGS: 2024 23:48:00 -199.638537 0.0080 BFGS: 2025 23:48:00 -199.638519 0.0292 BFGS: 2026 23:48:01 -199.638544 0.0111 BFGS: 2027 23:48:02 -199.638537 0.0228 BFGS: 2028 23:48:02 -199.638543 0.0208 BFGS: 2029 23:48:03 -199.638079 0.2145 BFGS: 2030 23:48:03 -199.638468 0.0553 BFGS: 2031 23:48:04 -199.638417 0.0614 BFGS: 2032 23:48:04 -199.638537 0.0080 BFGS: 2033 23:48:05 -199.638519 0.0293 BFGS: 2034 23:48:05 -199.638544 0.0111 BFGS: 2035 23:48:05 -199.638537 0.0228 BFGS: 2036 23:48:06 -199.638543 0.0209 BFGS: 2037 23:48:06 -199.638057 0.2197 BFGS: 2038 23:48:06 -199.638466 0.0561 BFGS: 2039 23:48:07 -199.638416 0.0612 BFGS: 2040 23:48:07 -199.638537 0.0080 BFGS: 2041 23:48:07 -199.638519 0.0293 BFGS: 2042 23:48:08 -199.638544 0.0110 BFGS: 2043 23:48:09 -199.638537 0.0228 BFGS: 2044 23:48:09 -199.638543 0.0209 BFGS: 2045 23:48:09 -199.638035 0.2261 BFGS: 2046 23:48:10 -199.638464 0.0569 BFGS: 2047 23:48:10 -199.638415 0.0610 BFGS: 2048 23:48:10 -199.638536 0.0081 BFGS: 2049 23:48:11 -199.638519 0.0292 BFGS: 2050 23:48:11 -199.638544 0.0110 BFGS: 2051 23:48:12 -199.638538 0.0228 BFGS: 2052 23:48:12 -199.638544 0.0209 BFGS: 2053 23:48:12 -199.638014 0.2303 BFGS: 2054 23:48:12 -199.638462 0.0576 BFGS: 2055 23:48:13 -199.638415 0.0608 BFGS: 2056 23:48:13 -199.638536 0.0081 BFGS: 2057 23:48:13 -199.638519 0.0292 BFGS: 2058 23:48:13 -199.638543 0.0109 BFGS: 2059 23:48:14 -199.638538 0.0228 BFGS: 2060 23:48:15 -199.638544 0.0209 BFGS: 2061 23:48:15 -199.637992 0.2362 BFGS: 2062 23:48:15 -199.638460 0.0583 BFGS: 2063 23:48:16 -199.638414 0.0605 BFGS: 2064 23:48:16 -199.638536 0.0081 BFGS: 2065 23:48:17 -199.638519 0.0292 BFGS: 2066 23:48:17 -199.638543 0.0109 BFGS: 2067 23:48:17 -199.638538 0.0228 BFGS: 2068 23:48:18 -199.638544 0.0208 BFGS: 2069 23:48:18 -199.637971 0.2409 BFGS: 2070 23:48:19 -199.638458 0.0589 BFGS: 2071 23:48:19 -199.638414 0.0602 BFGS: 2072 23:48:20 -199.638535 0.0081 BFGS: 2073 23:48:21 -199.638519 0.0291 BFGS: 2074 23:48:21 -199.638543 0.0108 BFGS: 2075 23:48:21 -199.638538 0.0228 BFGS: 2076 23:48:22 -199.638545 0.0116 BFGS: 2077 23:48:22 -199.638543 0.0211 BFGS: 2078 23:48:23 -199.638544 0.0206 BFGS: 2079 23:48:23 -199.638157 0.2026 BFGS: 2080 23:48:24 -199.638478 0.0539 BFGS: 2081 23:48:24 -199.638429 0.0627 BFGS: 2082 23:48:25 -199.638538 0.0080 BFGS: 2083 23:48:25 -199.638522 0.0293 BFGS: 2084 23:48:26 -199.638544 0.0109 BFGS: 2085 23:48:27 -199.638539 0.0227 BFGS: 2086 23:48:27 -199.638544 0.0207 BFGS: 2087 23:48:28 -199.638138 0.2073 BFGS: 2088 23:48:28 -199.638476 0.0547 BFGS: 2089 23:48:28 -199.638428 0.0625 BFGS: 2090 23:48:28 -199.638537 0.0080 BFGS: 2091 23:48:29 -199.638522 0.0293 BFGS: 2092 23:48:29 -199.638544 0.0109 BFGS: 2093 23:48:30 -199.638539 0.0227 BFGS: 2094 23:48:30 -199.638544 0.0208 BFGS: 2095 23:48:31 -199.638119 0.2123 BFGS: 2096 23:48:31 -199.638474 0.0555 BFGS: 2097 23:48:31 -199.638426 0.0624 BFGS: 2098 23:48:32 -199.638537 0.0080 BFGS: 2099 23:48:32 -199.638522 0.0293 BFGS: 2100 23:48:33 -199.638544 0.0109 BFGS: 2101 23:48:33 -199.638539 0.0228 BFGS: 2102 23:48:33 -199.638544 0.0208 BFGS: 2103 23:48:34 -199.638101 0.2181 BFGS: 2104 23:48:34 -199.638472 0.0563 BFGS: 2105 23:48:35 -199.638425 0.0624 BFGS: 2106 23:48:35 -199.638537 0.0081 BFGS: 2107 23:48:36 -199.638521 0.0293 BFGS: 2108 23:48:37 -199.638543 0.0108 BFGS: 2109 23:48:37 -199.638539 0.0228 BFGS: 2110 23:48:38 -199.638544 0.0208 BFGS: 2111 23:48:38 -199.638084 0.2217 BFGS: 2112 23:48:39 -199.638470 0.0569 BFGS: 2113 23:48:39 -199.638424 0.0623 BFGS: 2114 23:48:40 -199.638537 0.0081 BFGS: 2115 23:48:41 -199.638521 0.0294 BFGS: 2116 23:48:41 -199.638543 0.0108 BFGS: 2117 23:48:42 -199.638539 0.0228 BFGS: 2118 23:48:43 -199.638545 0.0208 BFGS: 2119 23:48:43 -199.638066 0.2261 BFGS: 2120 23:48:44 -199.638468 0.0575 BFGS: 2121 23:48:44 -199.638423 0.0621 BFGS: 2122 23:48:45 -199.638536 0.0081 BFGS: 2123 23:48:46 -199.638521 0.0294 BFGS: 2124 23:48:46 -199.638543 0.0108 BFGS: 2125 23:48:47 -199.638539 0.0228 BFGS: 2126 23:48:47 -199.638545 0.0116 BFGS: 2127 23:48:48 -199.638543 0.0211 BFGS: 2128 23:48:49 -199.638544 0.0206 BFGS: 2129 23:48:49 -199.638221 0.1893 BFGS: 2130 23:48:50 -199.638487 0.0518 BFGS: 2131 23:48:50 -199.638442 0.0628 BFGS: 2132 23:48:51 -199.638538 0.0080 BFGS: 2133 23:48:51 -199.638525 0.0289 BFGS: 2134 23:48:51 -199.638544 0.0106 BFGS: 2135 23:48:51 -199.638540 0.0224 BFGS: 2136 23:48:52 -199.638545 0.0112 BFGS: 2137 23:48:52 -199.638543 0.0207 BFGS: 2138 23:48:52 -199.638544 0.0202 BFGS: 2139 23:48:52 -199.638335 0.1536 BFGS: 2140 23:48:52 -199.638503 0.0447 BFGS: 2141 23:48:52 -199.638465 0.0599 BFGS: 2142 23:48:52 -199.638540 0.0080 BFGS: 2143 23:48:52 -199.638531 0.0273 BFGS: 2144 23:48:53 -199.638544 0.0099 BFGS: 2145 23:48:53 -199.638542 0.0213 BFGS: 2146 23:48:53 -199.638544 0.0103 BFGS: 2147 23:48:54 -199.638545 0.0198 BFGS: 2148 23:48:54 -199.638545 0.0102 BFGS: 2149 23:48:55 -199.638545 0.0100 BFGS: 2150 23:48:55 -199.638461 0.0445 BFGS: 2151 23:48:55 -199.638524 0.0126 BFGS: 2152 23:48:56 -199.638455 0.0691 BFGS: 2153 23:48:56 -199.638526 0.0250 BFGS: 2154 23:48:57 -199.638457 0.0450 BFGS: 2155 23:48:58 -199.638537 0.0137 BFGS: 2156 23:48:58 -199.638441 0.0714 BFGS: 2157 23:48:58 -199.638519 0.0281 BFGS: 2158 23:48:59 -199.638449 0.0474 BFGS: 2159 23:48:59 -199.638541 0.0144 BFGS: 2160 23:48:59 -199.638426 0.0737 BFGS: 2161 23:48:59 -199.638514 0.0291 BFGS: 2162 23:48:59 -199.638442 0.0496 BFGS: 2163 23:48:59 -199.638543 0.0145 BFGS: 2164 23:48:59 -199.638412 0.0758 BFGS: 2165 23:49:00 -199.638510 0.0297 BFGS: 2166 23:49:00 -199.638436 0.0514 BFGS: 2167 23:49:00 -199.638545 0.0079 BFGS: 2168 23:49:00 -199.638519 0.0137 BFGS: 2169 23:49:00 -199.638537 0.0127 BFGS: 2170 23:49:00 -199.638394 0.0772 BFGS: 2171 23:49:01 -199.638507 0.0285 BFGS: 2172 23:49:01 -199.638425 0.0538 BFGS: 2173 23:49:01 -199.638545 0.0079 BFGS: 2174 23:49:01 -199.638516 0.0145 BFGS: 2175 23:49:02 -199.638536 0.0127 BFGS: 2176 23:49:02 -199.638373 0.0795 BFGS: 2177 23:49:03 -199.638502 0.0287 BFGS: 2178 23:49:03 -199.638416 0.0554 BFGS: 2179 23:49:03 -199.638544 0.0080 BFGS: 2180 23:49:04 -199.638515 0.0150 BFGS: 2181 23:49:04 -199.638537 0.0127 BFGS: 2182 23:49:05 -199.638350 0.0813 BFGS: 2183 23:49:05 -199.638497 0.0289 BFGS: 2184 23:49:05 -199.638408 0.0565 BFGS: 2185 23:49:06 -199.638543 0.0080 BFGS: 2186 23:49:06 -199.638513 0.0153 BFGS: 2187 23:49:07 -199.638537 0.0126 BFGS: 2188 23:49:07 -199.638326 0.0827 BFGS: 2189 23:49:08 -199.638492 0.0289 BFGS: 2190 23:49:08 -199.638401 0.0571 BFGS: 2191 23:49:09 -199.638542 0.0080 BFGS: 2192 23:49:09 -199.638513 0.0156 BFGS: 2193 23:49:09 -199.638538 0.0126 BFGS: 2194 23:49:10 -199.638300 0.0836 BFGS: 2195 23:49:11 -199.638486 0.0288 BFGS: 2196 23:49:11 -199.638396 0.0572 BFGS: 2197 23:49:11 -199.638541 0.0081 BFGS: 2198 23:49:12 -199.638512 0.0157 BFGS: 2199 23:49:12 -199.638539 0.0126 BFGS: 2200 23:49:12 -199.638273 0.0843 BFGS: 2201 23:49:13 -199.638481 0.0286 BFGS: 2202 23:49:13 -199.638391 0.0569 BFGS: 2203 23:49:14 -199.638540 0.0081 BFGS: 2204 23:49:14 -199.638511 0.0157 BFGS: 2205 23:49:15 -199.638540 0.0126 BFGS: 2206 23:49:15 -199.638245 0.0844 BFGS: 2207 23:49:16 -199.638476 0.0282 BFGS: 2208 23:49:17 -199.638388 0.0561 BFGS: 2209 23:49:17 -199.638538 0.0082 BFGS: 2210 23:49:17 -199.638511 0.0156 BFGS: 2211 23:49:18 -199.638542 0.0126 BFGS: 2212 23:49:18 -199.638216 0.0842 BFGS: 2213 23:49:19 -199.638470 0.0277 BFGS: 2214 23:49:19 -199.638385 0.0550 BFGS: 2215 23:49:20 -199.638537 0.0082 BFGS: 2216 23:49:21 -199.638511 0.0155 BFGS: 2217 23:49:21 -199.638543 0.0126 BFGS: 2218 23:49:22 -199.638184 0.0837 BFGS: 2219 23:49:22 -199.638465 0.0272 BFGS: 2220 23:49:23 -199.638384 0.0536 BFGS: 2221 23:49:23 -199.638536 0.0083 BFGS: 2222 23:49:23 -199.638512 0.0152 BFGS: 2223 23:49:24 -199.638545 0.0095 BFGS: 2224 23:49:24 -199.638534 0.0126 BFGS: 2225 23:49:24 -199.638541 0.0126 BFGS: 2226 23:49:25 -199.638163 0.0807 BFGS: 2227 23:49:25 -199.638463 0.0258 BFGS: 2228 23:49:26 -199.638384 0.0518 BFGS: 2229 23:49:26 -199.638535 0.0083 BFGS: 2230 23:49:26 -199.638512 0.0150 BFGS: 2231 23:49:27 -199.638544 0.0095 BFGS: 2232 23:49:27 -199.638534 0.0126 BFGS: 2233 23:49:27 -199.638541 0.0126 BFGS: 2234 23:49:27 -199.638137 0.0786 BFGS: 2235 23:49:27 -199.638460 0.0248 BFGS: 2236 23:49:27 -199.638385 0.0496 BFGS: 2237 23:49:27 -199.638534 0.0084 BFGS: 2238 23:49:27 -199.638513 0.0146 BFGS: 2239 23:49:28 -199.638544 0.0094 BFGS: 2240 23:49:28 -199.638535 0.0126 BFGS: 2241 23:49:28 -199.638543 0.0126 BFGS: 2242 23:49:28 -199.638112 0.0761 BFGS: 2243 23:49:29 -199.638456 0.0238 BFGS: 2244 23:49:29 -199.638386 0.0474 BFGS: 2245 23:49:30 -199.638533 0.0084 BFGS: 2246 23:49:30 -199.638513 0.0142 BFGS: 2247 23:49:30 -199.638543 0.0093 BFGS: 2248 23:49:31 -199.638536 0.0126 BFGS: 2249 23:49:32 -199.638544 0.0126 BFGS: 2250 23:49:32 -199.638083 0.0735 BFGS: 2251 23:49:32 -199.638453 0.0228 BFGS: 2252 23:49:33 -199.638389 0.0451 BFGS: 2253 23:49:33 -199.638532 0.0084 BFGS: 2254 23:49:34 -199.638515 0.0137 BFGS: 2255 23:49:34 -199.638542 0.0092 BFGS: 2256 23:49:34 -199.638538 0.0126 BFGS: 2257 23:49:35 -199.638544 0.0096 BFGS: 2258 23:49:36 -199.638543 0.0126 BFGS: 2259 23:49:36 -199.638544 0.0126 BFGS: 2260 23:49:36 -199.638123 0.0687 BFGS: 2261 23:49:37 -199.638458 0.0217 BFGS: 2262 23:49:38 -199.638393 0.0439 BFGS: 2263 23:49:38 -199.638533 0.0084 BFGS: 2264 23:49:38 -199.638515 0.0136 BFGS: 2265 23:49:39 -199.638543 0.0092 BFGS: 2266 23:49:39 -199.638537 0.0126 BFGS: 2267 23:49:40 -199.638544 0.0126 BFGS: 2268 23:49:40 -199.638093 0.0674 BFGS: 2269 23:49:41 -199.638455 0.0210 BFGS: 2270 23:49:41 -199.638395 0.0420 BFGS: 2271 23:49:42 -199.638532 0.0084 BFGS: 2272 23:49:42 -199.638516 0.0133 BFGS: 2273 23:49:43 -199.638542 0.0091 BFGS: 2274 23:49:43 -199.638538 0.0126 BFGS: 2275 23:49:43 -199.638544 0.0095 BFGS: 2276 23:49:44 -199.638543 0.0126 BFGS: 2277 23:49:45 -199.638545 0.0095 BFGS: 2278 23:49:45 -199.638545 0.0126 BFGS: 2279 23:49:46 -199.638545 0.0095 BFGS: 2280 23:49:46 -199.638545 0.0126 BFGS: 2281 23:49:46 -199.638545 0.0126 BFGS: 2282 23:49:46 -199.638529 0.0155 BFGS: 2283 23:49:47 -199.638540 0.0077 BFGS: 2284 23:49:47 -199.638535 0.0129 BFGS: 2285 23:49:48 -199.638544 0.0080 BFGS: 2286 23:49:48 -199.638545 0.0126 BFGS: 2287 23:49:49 -199.638544 0.0085 BFGS: 2288 23:49:49 -199.638545 0.0088 BFGS: 2289 23:49:50 -199.638526 0.0158 BFGS: 2290 23:49:50 -199.638542 0.0125 BFGS: 2291 23:49:51 -199.638518 0.0226 BFGS: 2292 23:49:51 -199.638538 0.0085 BFGS: 2293 23:49:51 -199.638525 0.0164 BFGS: 2294 23:49:51 -199.638544 0.0082 BFGS: 2295 23:49:51 -199.638542 0.0125 BFGS: 2296 23:49:51 -199.638545 0.0088 BFGS: 2297 23:49:51 -199.638545 0.0126 BFGS: 2298 23:49:52 -199.638545 0.0089 BFGS: 2299 23:49:52 -199.638545 0.0089 BFGS: 2300 23:49:52 -199.638425 0.0464 BFGS: 2301 23:49:52 -199.638517 0.0147 BFGS: 2302 23:49:52 -199.638376 0.0584 BFGS: 2303 23:49:52 -199.638512 0.0165 BFGS: 2304 23:49:52 -199.638444 0.0389 BFGS: 2305 23:49:52 -199.638543 0.0083 BFGS: 2306 23:49:52 -199.638522 0.0133 BFGS: 2307 23:49:52 -199.638540 0.0126 BFGS: 2308 23:49:52 -199.638367 0.0558 BFGS: 2309 23:49:53 -199.638503 0.0184 BFGS: 2310 23:49:54 -199.638437 0.0393 BFGS: 2311 23:49:54 -199.638541 0.0081 BFGS: 2312 23:49:55 -199.638522 0.0130 BFGS: 2313 23:49:55 -199.638542 0.0126 BFGS: 2314 23:49:56 -199.638345 0.0567 BFGS: 2315 23:49:56 -199.638498 0.0187 BFGS: 2316 23:49:56 -199.638431 0.0396 BFGS: 2317 23:49:57 -199.638540 0.0082 BFGS: 2318 23:49:58 -199.638522 0.0131 BFGS: 2319 23:49:58 -199.638543 0.0126 BFGS: 2320 23:49:59 -199.638321 0.0574 BFGS: 2321 23:50:00 -199.638493 0.0188 BFGS: 2322 23:50:00 -199.638426 0.0398 BFGS: 2323 23:50:01 -199.638539 0.0082 BFGS: 2324 23:50:01 -199.638521 0.0131 BFGS: 2325 23:50:01 -199.638545 0.0126 BFGS: 2326 23:50:01 -199.638294 0.0579 BFGS: 2327 23:50:02 -199.638488 0.0188 BFGS: 2328 23:50:02 -199.638422 0.0396 BFGS: 2329 23:50:03 -199.638538 0.0082 BFGS: 2330 23:50:04 -199.638521 0.0130 BFGS: 2331 23:50:04 -199.638544 0.0094 BFGS: 2332 23:50:05 -199.638537 0.0125 BFGS: 2333 23:50:05 -199.638543 0.0126 BFGS: 2334 23:50:05 -199.638278 0.0565 BFGS: 2335 23:50:06 -199.638485 0.0181 BFGS: 2336 23:50:06 -199.638419 0.0390 BFGS: 2337 23:50:07 -199.638538 0.0083 BFGS: 2338 23:50:08 -199.638520 0.0130 BFGS: 2339 23:50:08 -199.638544 0.0094 BFGS: 2340 23:50:08 -199.638537 0.0125 BFGS: 2341 23:50:09 -199.638543 0.0126 BFGS: 2342 23:50:09 -199.638261 0.0554 BFGS: 2343 23:50:09 -199.638483 0.0177 BFGS: 2344 23:50:10 -199.638417 0.0382 BFGS: 2345 23:50:11 -199.638537 0.0083 BFGS: 2346 23:50:12 -199.638520 0.0129 BFGS: 2347 23:50:12 -199.638544 0.0094 BFGS: 2348 23:50:13 -199.638538 0.0125 BFGS: 2349 23:50:13 -199.638543 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0.1671 BFGS: 4900 00:09:56 -199.638409 0.0383 BFGS: 4901 00:09:56 -199.638365 0.0250 BFGS: 4902 00:09:57 -199.638527 0.0085 BFGS: 4903 00:09:57 -199.638504 0.0194 BFGS: 4904 00:09:58 -199.638542 0.0084 BFGS: 4905 00:09:59 -199.638533 0.0181 BFGS: 4906 00:10:00 -199.638544 0.0176 BFGS: 4907 00:10:01 -199.637610 0.1681 BFGS: 4908 00:10:01 -199.638409 0.0384 BFGS: 4909 00:10:02 -199.638366 0.0252 BFGS: 4910 00:10:02 -199.638527 0.0085 BFGS: 4911 00:10:03 -199.638505 0.0195 BFGS: 4912 00:10:04 -199.638541 0.0085 BFGS: 4913 00:10:04 -199.638534 0.0182 BFGS: 4914 00:10:05 -199.638544 0.0088 BFGS: 4915 00:10:06 -199.638541 0.0177 BFGS: 4916 00:10:06 -199.638543 0.0175 BFGS: 4917 00:10:07 -199.637591 0.1925 BFGS: 4918 00:10:07 -199.638412 0.0437 BFGS: 4919 00:10:08 -199.638368 0.0299 BFGS: 4920 00:10:08 -199.638528 0.0085 BFGS: 4921 00:10:09 -199.638505 0.0206 BFGS: 4922 00:10:09 -199.638542 0.0085 BFGS: 4923 00:10:09 -199.638534 0.0185 BFGS: 4924 00:10:10 -199.638544 0.0179 BFGS: 4925 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0.0085 BFGS: 4951 00:10:26 -199.638537 0.0193 BFGS: 4952 00:10:26 -199.638543 0.0089 BFGS: 4953 00:10:27 -199.638543 0.0183 BFGS: 4954 00:10:27 -199.638544 0.0089 BFGS: 4955 00:10:28 -199.638544 0.0089 BFGS: 4956 00:10:29 -199.638270 0.0309 BFGS: 4957 00:10:29 -199.638468 0.0127 BFGS: 4958 00:10:30 -199.637977 0.0170 BFGS: 4959 00:10:30 -199.638466 0.0095 BFGS: 4960 00:10:31 -199.638351 0.0196 BFGS: 4961 00:10:31 -199.638544 0.0085 BFGS: 4962 00:10:31 -199.638486 0.0127 BFGS: 4963 00:10:31 -199.638524 0.0150 BFGS: 4964 00:10:31 -199.637745 0.0239 BFGS: 4965 00:10:31 -199.638434 0.0102 BFGS: 4966 00:10:32 -199.638385 0.0147 BFGS: 4967 00:10:32 -199.638530 0.0082 BFGS: 4968 00:10:33 -199.638510 0.0134 BFGS: 4969 00:10:33 -199.638542 0.0081 BFGS: 4970 00:10:34 -199.638535 0.0153 BFGS: 4971 00:10:35 -199.638544 0.0161 BFGS: 4972 00:10:35 -199.637475 0.0537 BFGS: 4973 00:10:36 -199.638418 0.0112 BFGS: 4974 00:10:36 -199.638418 0.0125 BFGS: 4975 00:10:37 -199.638519 0.0086 BFGS: 4976 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0.0170 BFGS: 7399 00:29:52 -199.638544 0.0082 BFGS: 7400 00:29:52 -199.638528 0.0168 BFGS: 7401 00:29:52 -199.638540 0.0167 BFGS: 7402 00:29:53 -199.637659 0.1300 BFGS: 7403 00:29:53 -199.638407 0.0303 BFGS: 7404 00:29:53 -199.638349 0.0184 BFGS: 7405 00:29:53 -199.638529 0.0084 BFGS: 7406 00:29:53 -199.638498 0.0173 BFGS: 7407 00:29:53 -199.638543 0.0083 BFGS: 7408 00:29:53 -199.638529 0.0170 BFGS: 7409 00:29:54 -199.638540 0.0169 BFGS: 7410 00:29:54 -199.637658 0.1342 BFGS: 7411 00:29:54 -199.638407 0.0312 BFGS: 7412 00:29:55 -199.638350 0.0191 BFGS: 7413 00:29:55 -199.638528 0.0084 BFGS: 7414 00:29:56 -199.638498 0.0176 BFGS: 7415 00:29:56 -199.638543 0.0084 BFGS: 7416 00:29:56 -199.638529 0.0171 BFGS: 7417 00:29:56 -199.638540 0.0170 BFGS: 7418 00:29:56 -199.637654 0.1383 BFGS: 7419 00:29:56 -199.638407 0.0320 BFGS: 7420 00:29:56 -199.638352 0.0198 BFGS: 7421 00:29:56 -199.638528 0.0084 BFGS: 7422 00:29:56 -199.638499 0.0179 BFGS: 7423 00:29:56 -199.638543 0.0084 BFGS: 7424 00:29:56 -199.638529 0.0173 BFGS: 7425 00:29:56 -199.638540 0.0172 BFGS: 7426 00:29:57 -199.637650 0.1423 BFGS: 7427 00:29:57 -199.638407 0.0328 BFGS: 7428 00:29:58 -199.638353 0.0206 BFGS: 7429 00:29:59 -199.638528 0.0084 BFGS: 7430 00:29:59 -199.638499 0.0182 BFGS: 7431 00:29:59 -199.638543 0.0085 BFGS: 7432 00:30:00 -199.638530 0.0175 BFGS: 7433 00:30:00 -199.638541 0.0173 BFGS: 7434 00:30:00 -199.637646 0.1463 BFGS: 7435 00:30:01 -199.638408 0.0336 BFGS: 7436 00:30:01 -199.638355 0.0213 BFGS: 7437 00:30:02 -199.638528 0.0084 BFGS: 7438 00:30:02 -199.638500 0.0185 BFGS: 7439 00:30:03 -199.638543 0.0086 BFGS: 7440 00:30:13 -199.638530 0.0177 BFGS: 7441 00:30:13 -199.638541 0.0175 BFGS: 7442 00:30:14 -199.637641 0.1501 BFGS: 7443 00:30:14 -199.638408 0.0344 BFGS: 7444 00:30:14 -199.638356 0.0221 BFGS: 7445 00:30:14 -199.638528 0.0084 BFGS: 7446 00:30:15 -199.638500 0.0188 BFGS: 7447 00:30:15 -199.638543 0.0086 BFGS: 7448 00:30:16 -199.638531 0.0179 BFGS: 7449 00:30:16 -199.638542 0.0176 BFGS: 7450 00:30:17 -199.637635 0.1539 BFGS: 7451 00:30:17 -199.638408 0.0351 BFGS: 7452 00:30:18 -199.638358 0.0228 BFGS: 7453 00:30:18 -199.638528 0.0084 BFGS: 7454 00:30:19 -199.638501 0.0190 BFGS: 7455 00:30:19 -199.638542 0.0087 BFGS: 7456 00:30:19 -199.638531 0.0181 BFGS: 7457 00:30:20 -199.638542 0.0177 BFGS: 7458 00:30:20 -199.637633 0.1577 BFGS: 7459 00:30:21 -199.638408 0.0359 BFGS: 7460 00:30:21 -199.638359 0.0236 BFGS: 7461 00:30:21 -199.638528 0.0084 BFGS: 7462 00:30:21 -199.638502 0.0193 BFGS: 7463 00:30:22 -199.638542 0.0088 BFGS: 7464 00:30:22 -199.638531 0.0182 BFGS: 7465 00:30:22 -199.638542 0.0179 BFGS: 7466 00:30:22 -199.637629 0.1614 BFGS: 7467 00:30:22 -199.638408 0.0366 BFGS: 7468 00:30:22 -199.638360 0.0244 BFGS: 7469 00:30:22 -199.638528 0.0085 BFGS: 7470 00:30:22 -199.638502 0.0196 BFGS: 7471 00:30:22 -199.638542 0.0088 BFGS: 7472 00:30:23 -199.638532 0.0184 BFGS: 7473 00:30:23 -199.638543 0.0180 BFGS: 7474 00:30:23 -199.637625 0.1651 BFGS: 7475 00:30:24 -199.638408 0.0373 BFGS: 7476 00:30:24 -199.638362 0.0251 BFGS: 7477 00:30:25 -199.638527 0.0085 BFGS: 7478 00:30:25 -199.638503 0.0199 BFGS: 7479 00:30:25 -199.638542 0.0089 BFGS: 7480 00:30:26 -199.638532 0.0186 BFGS: 7481 00:30:26 -199.638543 0.0181 BFGS: 7482 00:30:26 -199.637621 0.1686 BFGS: 7483 00:30:27 -199.638409 0.0379 BFGS: 7484 00:30:27 -199.638363 0.0258 BFGS: 7485 00:30:27 -199.638527 0.0085 BFGS: 7486 00:30:28 -199.638503 0.0201 BFGS: 7487 00:30:28 -199.638542 0.0090 BFGS: 7488 00:30:29 -199.638533 0.0187 BFGS: 7489 00:30:29 -199.638543 0.0182 BFGS: 7490 00:30:30 -199.637617 0.1722 BFGS: 7491 00:30:30 -199.638409 0.0386 BFGS: 7492 00:30:30 -199.638364 0.0265 BFGS: 7493 00:30:31 -199.638527 0.0085 BFGS: 7494 00:30:31 -199.638504 0.0204 BFGS: 7495 00:30:32 -199.638541 0.0090 BFGS: 7496 00:30:32 -199.638533 0.0189 BFGS: 7497 00:30:33 -199.638544 0.0184 BFGS: 7498 00:30:33 -199.637612 0.1756 BFGS: 7499 00:30:33 -199.638409 0.0393 BFGS: 7500 00:30:34 -199.638366 0.0272 BFGS: 7501 00:30:34 -199.638527 0.0085 BFGS: 7502 00:30:34 -199.638504 0.0207 BFGS: 7503 00:30:35 -199.638541 0.0091 BFGS: 7504 00:30:35 -199.638534 0.0190 BFGS: 7505 00:30:35 -199.638544 0.0094 BFGS: 7506 00:30:36 -199.638540 0.0184 BFGS: 7507 00:30:36 -199.638543 0.0182 BFGS: 7508 00:30:37 -199.637579 0.2149 BFGS: 7509 00:30:37 -199.638413 0.0477 BFGS: 7510 00:30:38 -199.638372 0.0340 BFGS: 7511 00:30:38 -199.638528 0.0085 BFGS: 7512 00:30:38 -199.638506 0.0221 BFGS: 7513 00:30:39 -199.638542 0.0090 BFGS: 7514 00:30:39 -199.638534 0.0194 BFGS: 7515 00:30:40 -199.638544 0.0185 BFGS: 7516 00:30:40 -199.637576 0.2146 BFGS: 7517 00:30:41 -199.638413 0.0474 BFGS: 7518 00:30:41 -199.638373 0.0342 BFGS: 7519 00:30:41 -199.638528 0.0085 BFGS: 7520 00:30:42 -199.638507 0.0223 BFGS: 7521 00:30:42 -199.638541 0.0091 BFGS: 7522 00:30:42 -199.638535 0.0197 BFGS: 7523 00:30:43 -199.638544 0.0095 BFGS: 7524 00:30:43 -199.638541 0.0188 BFGS: 7525 00:30:44 -199.638544 0.0185 BFGS: 7526 00:30:44 -199.637541 0.2537 BFGS: 7527 00:30:44 -199.638418 0.0547 BFGS: 7528 00:30:44 -199.638380 0.0406 BFGS: 7529 00:30:45 -199.638529 0.0085 BFGS: 7530 00:30:45 -199.638510 0.0237 BFGS: 7531 00:30:45 -199.638541 0.0090 BFGS: 7532 00:30:45 -199.638536 0.0200 BFGS: 7533 00:30:46 -199.638544 0.0095 BFGS: 7534 00:30:46 -199.638542 0.0189 BFGS: 7535 00:30:47 -199.638544 0.0094 BFGS: 7536 00:30:47 -199.638544 0.0184 BFGS: 7537 00:30:47 -199.638544 0.0182 BFGS: 7538 00:30:48 -199.638233 0.1872 BFGS: 7539 00:30:48 -199.638489 0.0531 BFGS: 7540 00:30:48 -199.638430 0.0629 BFGS: 7541 00:30:49 -199.638540 0.0080 BFGS: 7542 00:30:49 -199.638520 0.0284 BFGS: 7543 00:30:49 -199.638543 0.0195 BFGS: 7544 00:30:49 -199.638182 0.1991 BFGS: 7545 00:30:49 -199.638482 0.0545 BFGS: 7546 00:30:49 -199.638423 0.0634 BFGS: 7547 00:30:49 -199.638539 0.0080 BFGS: 7548 00:30:49 -199.638518 0.0291 BFGS: 7549 00:30:49 -199.638543 0.0201 BFGS: 7550 00:30:50 -199.638130 0.2106 BFGS: 7551 00:30:50 -199.638475 0.0562 BFGS: 7552 00:30:51 -199.638417 0.0637 BFGS: 7553 00:30:51 -199.638538 0.0080 BFGS: 7554 00:30:52 -199.638517 0.0296 BFGS: 7555 00:30:52 -199.638544 0.0111 BFGS: 7556 00:30:52 -199.638536 0.0229 BFGS: 7557 00:30:52 -199.638541 0.0209 BFGS: 7558 00:30:52 -199.638110 0.2161 BFGS: 7559 00:30:52 -199.638474 0.0564 BFGS: 7560 00:30:52 -199.638415 0.0637 BFGS: 7561 00:30:52 -199.638538 0.0080 BFGS: 7562 00:30:53 -199.638517 0.0297 BFGS: 7563 00:30:53 -199.638544 0.0112 BFGS: 7564 00:30:53 -199.638535 0.0231 BFGS: 7565 00:30:54 -199.638541 0.0210 BFGS: 7566 00:30:54 -199.638092 0.2202 BFGS: 7567 00:30:55 -199.638472 0.0570 BFGS: 7568 00:30:55 -199.638413 0.0636 BFGS: 7569 00:30:55 -199.638537 0.0080 BFGS: 7570 00:30:56 -199.638517 0.0298 BFGS: 7571 00:30:56 -199.638544 0.0112 BFGS: 7572 00:30:56 -199.638535 0.0231 BFGS: 7573 00:30:57 -199.638541 0.0211 BFGS: 7574 00:30:58 -199.638075 0.2242 BFGS: 7575 00:30:58 -199.638471 0.0576 BFGS: 7576 00:30:58 -199.638412 0.0636 BFGS: 7577 00:30:59 -199.638537 0.0080 BFGS: 7578 00:30:59 -199.638516 0.0299 BFGS: 7579 00:31:00 -199.638544 0.0113 BFGS: 7580 00:31:00 -199.638535 0.0232 BFGS: 7581 00:31:00 -199.638542 0.0211 BFGS: 7582 00:31:01 -199.638059 0.2282 BFGS: 7583 00:31:01 -199.638469 0.0581 BFGS: 7584 00:31:01 -199.638410 0.0635 BFGS: 7585 00:31:02 -199.638537 0.0080 BFGS: 7586 00:31:02 -199.638516 0.0299 BFGS: 7587 00:31:02 -199.638543 0.0113 BFGS: 7588 00:31:03 -199.638535 0.0233 BFGS: 7589 00:31:03 -199.638542 0.0212 BFGS: 7590 00:31:04 -199.638042 0.2320 BFGS: 7591 00:31:04 -199.638467 0.0586 BFGS: 7592 00:31:04 -199.638409 0.0634 BFGS: 7593 00:31:05 -199.638537 0.0081 BFGS: 7594 00:31:05 -199.638516 0.0300 BFGS: 7595 00:31:05 -199.638543 0.0113 BFGS: 7596 00:31:06 -199.638536 0.0233 BFGS: 7597 00:31:06 -199.638542 0.0212 BFGS: 7598 00:31:07 -199.638026 0.2350 BFGS: 7599 00:31:07 -199.638465 0.0590 BFGS: 7600 00:31:07 -199.638408 0.0632 BFGS: 7601 00:31:08 -199.638536 0.0081 BFGS: 7602 00:31:08 -199.638516 0.0300 BFGS: 7603 00:31:09 -199.638543 0.0113 BFGS: 7604 00:31:10 -199.638536 0.0234 BFGS: 7605 00:31:10 -199.638542 0.0213 BFGS: 7606 00:31:11 -199.638008 0.2400 BFGS: 7607 00:31:11 -199.638464 0.0596 BFGS: 7608 00:31:11 -199.638407 0.0631 BFGS: 7609 00:31:12 -199.638536 0.0081 BFGS: 7610 00:31:12 -199.638516 0.0300 BFGS: 7611 00:31:12 -199.638543 0.0113 BFGS: 7612 00:31:13 -199.638536 0.0234 BFGS: 7613 00:31:23 -199.638542 0.0213 BFGS: 7614 00:31:23 -199.637993 0.2426 BFGS: 7615 00:31:24 -199.638462 0.0599 BFGS: 7616 00:31:24 -199.638406 0.0629 BFGS: 7617 00:31:24 -199.638536 0.0081 BFGS: 7618 00:31:24 -199.638516 0.0301 BFGS: 7619 00:31:25 -199.638543 0.0113 BFGS: 7620 00:31:25 -199.638536 0.0234 BFGS: 7621 00:31:26 -199.638543 0.0214 BFGS: 7622 00:31:26 -199.637977 0.2460 BFGS: 7623 00:31:26 -199.638461 0.0603 BFGS: 7624 00:31:27 -199.638406 0.0627 BFGS: 7625 00:31:27 -199.638535 0.0081 BFGS: 7626 00:31:28 -199.638516 0.0301 BFGS: 7627 00:31:28 -199.638543 0.0113 BFGS: 7628 00:31:28 -199.638536 0.0235 BFGS: 7629 00:31:29 -199.638543 0.0214 BFGS: 7630 00:31:30 -199.637960 0.2492 BFGS: 7631 00:31:30 -199.638459 0.0607 BFGS: 7632 00:31:30 -199.638405 0.0625 BFGS: 7633 00:31:31 -199.638535 0.0081 BFGS: 7634 00:31:31 -199.638516 0.0301 BFGS: 7635 00:31:32 -199.638542 0.0113 BFGS: 7636 00:31:32 -199.638536 0.0235 BFGS: 7637 00:31:32 -199.638543 0.0214 BFGS: 7638 00:31:33 -199.637944 0.2523 BFGS: 7639 00:31:33 -199.638458 0.0610 BFGS: 7640 00:31:34 -199.638405 0.0623 BFGS: 7641 00:31:34 -199.638535 0.0082 BFGS: 7642 00:31:35 -199.638516 0.0301 BFGS: 7643 00:31:35 -199.638542 0.0112 BFGS: 7644 00:31:35 -199.638537 0.0235 BFGS: 7645 00:31:36 -199.638543 0.0215 BFGS: 7646 00:31:36 -199.637928 0.2554 BFGS: 7647 00:31:36 -199.638456 0.0613 BFGS: 7648 00:31:37 -199.638404 0.0621 BFGS: 7649 00:31:37 -199.638535 0.0082 BFGS: 7650 00:31:38 -199.638516 0.0301 BFGS: 7651 00:31:38 -199.638542 0.0112 BFGS: 7652 00:31:38 -199.638537 0.0236 BFGS: 7653 00:31:38 -199.638544 0.0120 BFGS: 7654 00:31:39 -199.638542 0.0218 BFGS: 7655 00:31:39 -199.638543 0.0212 BFGS: 7656 00:31:40 -199.638129 0.2186 BFGS: 7657 00:31:40 -199.638477 0.0571 BFGS: 7658 00:31:41 -199.638422 0.0650 BFGS: 7659 00:31:41 -199.638537 0.0080 BFGS: 7660 00:31:42 -199.638520 0.0302 BFGS: 7661 00:31:42 -199.638543 0.0112 BFGS: 7662 00:31:42 -199.638537 0.0234 BFGS: 7663 00:31:43 -199.638543 0.0213 BFGS: 7664 00:31:43 -199.638115 0.2215 BFGS: 7665 00:31:44 -199.638475 0.0576 BFGS: 7666 00:31:44 -199.638420 0.0649 BFGS: 7667 00:31:45 -199.638537 0.0081 BFGS: 7668 00:31:45 -199.638520 0.0302 BFGS: 7669 00:31:45 -199.638543 0.0112 BFGS: 7670 00:31:46 -199.638537 0.0234 BFGS: 7671 00:31:46 -199.638543 0.0213 BFGS: 7672 00:31:46 -199.638101 0.2247 BFGS: 7673 00:31:47 -199.638474 0.0580 BFGS: 7674 00:31:47 -199.638419 0.0649 BFGS: 7675 00:31:48 -199.638537 0.0081 BFGS: 7676 00:31:48 -199.638519 0.0303 BFGS: 7677 00:31:48 -199.638543 0.0112 BFGS: 7678 00:31:49 -199.638537 0.0235 BFGS: 7679 00:31:49 -199.638543 0.0214 BFGS: 7680 00:31:49 -199.638087 0.2279 BFGS: 7681 00:31:49 -199.638472 0.0585 BFGS: 7682 00:31:49 -199.638418 0.0648 BFGS: 7683 00:31:49 -199.638536 0.0081 BFGS: 7684 00:31:50 -199.638519 0.0303 BFGS: 7685 00:31:50 -199.638543 0.0112 BFGS: 7686 00:31:51 -199.638537 0.0235 BFGS: 7687 00:31:51 -199.638543 0.0214 BFGS: 7688 00:31:51 -199.638075 0.2303 BFGS: 7689 00:31:52 -199.638471 0.0588 BFGS: 7690 00:31:52 -199.638417 0.0647 BFGS: 7691 00:31:52 -199.638536 0.0081 BFGS: 7692 00:31:52 -199.638519 0.0304 BFGS: 7693 00:31:53 -199.638543 0.0113 BFGS: 7694 00:31:53 -199.638537 0.0236 BFGS: 7695 00:31:54 -199.638544 0.0215 BFGS: 7696 00:31:54 -199.638060 0.2347 BFGS: 7697 00:31:54 -199.638470 0.0594 BFGS: 7698 00:31:55 -199.638416 0.0646 BFGS: 7699 00:31:55 -199.638536 0.0081 BFGS: 7700 00:31:55 -199.638519 0.0304 BFGS: 7701 00:31:56 -199.638542 0.0112 BFGS: 7702 00:31:56 -199.638538 0.0236 BFGS: 7703 00:31:57 -199.638544 0.0215 BFGS: 7704 00:31:57 -199.638048 0.2370 BFGS: 7705 00:31:58 -199.638468 0.0597 BFGS: 7706 00:31:58 -199.638415 0.0645 BFGS: 7707 00:31:58 -199.638536 0.0081 BFGS: 7708 00:31:59 -199.638519 0.0304 BFGS: 7709 00:31:59 -199.638542 0.0113 BFGS: 7710 00:31:59 -199.638538 0.0236 BFGS: 7711 00:32:00 -199.638544 0.0121 BFGS: 7712 00:32:00 -199.638542 0.0219 BFGS: 7713 00:32:01 -199.638543 0.0213 BFGS: 7714 00:32:01 -199.638214 0.1998 BFGS: 7715 00:32:02 -199.638488 0.0542 BFGS: 7716 00:32:02 -199.638436 0.0652 BFGS: 7717 00:32:02 -199.638538 0.0080 BFGS: 7718 00:32:02 -199.638524 0.0298 BFGS: 7719 00:32:02 -199.638543 0.0108 BFGS: 7720 00:32:02 -199.638539 0.0230 BFGS: 7721 00:32:02 -199.638544 0.0115 BFGS: 7722 00:32:02 -199.638542 0.0213 BFGS: 7723 00:32:02 -199.638544 0.0207 BFGS: 7724 00:32:02 -199.638335 0.1630 BFGS: 7725 00:32:02 -199.638505 0.0472 BFGS: 7726 00:32:02 -199.638462 0.0622 BFGS: 7727 00:32:03 -199.638539 0.0080 BFGS: 7728 00:32:03 -199.638530 0.0280 BFGS: 7729 00:32:03 -199.638543 0.0099 BFGS: 7730 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00:37:12 -199.637652 0.0354 BFGS: 8547 00:37:13 -199.638414 0.0124 BFGS: 8548 00:37:13 -199.638355 0.0204 BFGS: 8549 00:37:14 -199.638528 0.0084 BFGS: 8550 00:37:14 -199.638500 0.0132 BFGS: 8551 00:37:15 -199.638543 0.0078 BFGS: 8552 00:37:15 -199.638530 0.0143 BFGS: 8553 00:37:15 -199.638541 0.0151 BFGS: 8554 00:37:15 -199.637615 0.0453 BFGS: 8555 00:37:15 -199.638404 0.0129 BFGS: 8556 00:37:16 -199.638368 0.0176 BFGS: 8557 00:37:16 -199.638523 0.0086 BFGS: 8558 00:37:16 -199.638509 0.0133 BFGS: 8559 00:37:17 -199.638539 0.0080 BFGS: 8560 00:37:17 -199.638538 0.0149 BFGS: 8561 00:37:17 -199.638543 0.0078 BFGS: 8562 00:37:17 -199.638545 0.0077 BFGS: 8563 00:37:18 -199.638113 0.0498 BFGS: 8564 00:37:18 -199.638428 0.0149 BFGS: 8565 00:37:19 -199.637811 0.0289 BFGS: 8566 00:37:19 -199.638449 0.0113 BFGS: 8567 00:37:20 -199.638301 0.0276 BFGS: 8568 00:37:20 -199.638544 0.0156 BFGS: 8569 00:37:20 -199.637601 0.0357 BFGS: 8570 00:37:21 -199.638401 0.0129 BFGS: 8571 00:37:21 -199.638369 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00:37:32 -199.638290 0.0332 BFGS: 8598 00:37:32 -199.638543 0.0154 BFGS: 8599 00:37:33 -199.637620 0.0324 BFGS: 8600 00:37:33 -199.638401 0.0128 BFGS: 8601 00:37:34 -199.638361 0.0231 BFGS: 8602 00:37:34 -199.638523 0.0086 BFGS: 8603 00:37:34 -199.638507 0.0131 BFGS: 8604 00:37:34 -199.638540 0.0079 BFGS: 8605 00:37:35 -199.638537 0.0146 BFGS: 8606 00:37:35 -199.638543 0.0078 BFGS: 8607 00:37:36 -199.638544 0.0151 BFGS: 8608 00:37:36 -199.638544 0.0078 BFGS: 8609 00:37:37 -199.638545 0.0078 BFGS: 8610 00:37:37 -199.638137 0.0803 BFGS: 8611 00:37:38 -199.638440 0.0201 BFGS: 8612 00:37:38 -199.637979 0.0509 BFGS: 8613 00:37:39 -199.638449 0.0188 BFGS: 8614 00:37:39 -199.638253 0.0560 BFGS: 8615 00:37:39 -199.638536 0.0140 BFGS: 8616 00:37:40 -199.637806 0.0511 BFGS: 8617 00:37:40 -199.638408 0.0216 BFGS: 8618 00:37:41 -199.638313 0.0430 BFGS: 8619 00:37:41 -199.638532 0.0086 BFGS: 8620 00:37:41 -199.638488 0.0130 BFGS: 8621 00:37:42 -199.638540 0.0143 BFGS: 8622 00:37:42 -199.637641 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00:38:08 -199.638524 0.0086 BFGS: 8700 00:38:08 -199.638504 0.0131 BFGS: 8701 00:38:09 -199.638541 0.0079 BFGS: 8702 00:38:09 -199.638535 0.0139 BFGS: 8703 00:38:10 -199.638544 0.0078 BFGS: 8704 00:38:10 -199.638542 0.0144 BFGS: 8705 00:38:10 -199.638545 0.0145 BFGS: 8706 00:38:11 -199.637650 0.0487 BFGS: 8707 00:38:11 -199.638402 0.0137 BFGS: 8708 00:38:11 -199.638355 0.0189 BFGS: 8709 00:38:12 -199.638524 0.0086 BFGS: 8710 00:38:12 -199.638504 0.0131 BFGS: 8711 00:38:13 -199.638541 0.0080 BFGS: 8712 00:38:13 -199.638535 0.0141 BFGS: 8713 00:38:14 -199.638544 0.0078 BFGS: 8714 00:38:14 -199.638542 0.0144 BFGS: 8715 00:38:15 -199.638545 0.0146 BFGS: 8716 00:38:15 -199.637647 0.0650 BFGS: 8717 00:38:15 -199.638403 0.0165 BFGS: 8718 00:38:16 -199.638357 0.0162 BFGS: 8719 00:38:16 -199.638525 0.0087 BFGS: 8720 00:38:16 -199.638504 0.0132 BFGS: 8721 00:38:17 -199.638541 0.0080 BFGS: 8722 00:38:17 -199.638535 0.0143 BFGS: 8723 00:38:17 -199.638544 0.0078 BFGS: 8724 00:38:17 -199.638542 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0.0138 BFGS: 9847 00:44:14 -199.638536 0.0129 BFGS: 9848 00:44:15 -199.637790 0.0278 BFGS: 9849 00:44:15 -199.638402 0.0127 BFGS: 9850 00:44:15 -199.638282 0.0377 BFGS: 9851 00:44:16 -199.638532 0.0083 BFGS: 9852 00:44:17 -199.638480 0.0138 BFGS: 9853 00:44:17 -199.638536 0.0130 BFGS: 9854 00:44:17 -199.637789 0.0279 BFGS: 9855 00:44:18 -199.638402 0.0127 BFGS: 9856 00:44:18 -199.638283 0.0374 BFGS: 9857 00:44:18 -199.638532 0.0083 BFGS: 9858 00:44:18 -199.638480 0.0137 BFGS: 9859 00:44:19 -199.638536 0.0130 BFGS: 9860 00:44:19 -199.637789 0.0279 BFGS: 9861 00:44:19 -199.638402 0.0126 BFGS: 9862 00:44:20 -199.638283 0.0370 BFGS: 9863 00:44:20 -199.638532 0.0083 BFGS: 9864 00:44:21 -199.638480 0.0137 BFGS: 9865 00:44:21 -199.638536 0.0130 BFGS: 9866 00:44:21 -199.637789 0.0280 BFGS: 9867 00:44:21 -199.638402 0.0126 BFGS: 9868 00:44:22 -199.638283 0.0367 BFGS: 9869 00:44:22 -199.638532 0.0083 BFGS: 9870 00:44:22 -199.638480 0.0136 BFGS: 9871 00:44:22 -199.638536 0.0130 BFGS: 9872 00:44:23 -199.637789 0.0280 BFGS: 9873 00:44:23 -199.638402 0.0126 BFGS: 9874 00:44:23 -199.638284 0.0363 BFGS: 9875 00:44:24 -199.638532 0.0083 BFGS: 9876 00:44:24 -199.638480 0.0136 BFGS: 9877 00:44:25 -199.638536 0.0131 BFGS: 9878 00:44:25 -199.637788 0.0281 BFGS: 9879 00:44:25 -199.638402 0.0126 BFGS: 9880 00:44:25 -199.638284 0.0360 BFGS: 9881 00:44:26 -199.638532 0.0083 BFGS: 9882 00:44:26 -199.638480 0.0136 BFGS: 9883 00:44:26 -199.638536 0.0131 BFGS: 9884 00:44:26 -199.637788 0.0281 BFGS: 9885 00:44:26 -199.638402 0.0126 BFGS: 9886 00:44:26 -199.638285 0.0356 BFGS: 9887 00:44:26 -199.638532 0.0083 BFGS: 9888 00:44:26 -199.638480 0.0135 BFGS: 9889 00:44:26 -199.638536 0.0131 BFGS: 9890 00:44:27 -199.637787 0.0282 BFGS: 9891 00:44:27 -199.638402 0.0126 BFGS: 9892 00:44:28 -199.638285 0.0353 BFGS: 9893 00:44:28 -199.638532 0.0083 BFGS: 9894 00:44:28 -199.638480 0.0135 BFGS: 9895 00:44:29 -199.638536 0.0132 BFGS: 9896 00:44:29 -199.637787 0.0282 BFGS: 9897 00:44:30 -199.638402 0.0126 BFGS: 9898 00:44:30 -199.638285 0.0350 BFGS: 9899 00:44:30 -199.638532 0.0083 BFGS: 9900 00:44:31 -199.638480 0.0134 BFGS: 9901 00:44:31 -199.638536 0.0132 BFGS: 9902 00:44:31 -199.637787 0.0283 BFGS: 9903 00:44:32 -199.638402 0.0126 BFGS: 9904 00:44:32 -199.638286 0.0346 BFGS: 9905 00:44:32 -199.638532 0.0083 BFGS: 9906 00:44:32 -199.638480 0.0134 BFGS: 9907 00:44:33 -199.638536 0.0132 BFGS: 9908 00:44:33 -199.637786 0.0283 BFGS: 9909 00:44:33 -199.638402 0.0126 BFGS: 9910 00:44:33 -199.638286 0.0343 BFGS: 9911 00:44:33 -199.638532 0.0083 BFGS: 9912 00:44:34 -199.638480 0.0134 BFGS: 9913 00:44:34 -199.638536 0.0132 BFGS: 9914 00:44:34 -199.637786 0.0284 BFGS: 9915 00:44:34 -199.638402 0.0126 BFGS: 9916 00:44:35 -199.638286 0.0340 BFGS: 9917 00:44:35 -199.638532 0.0083 BFGS: 9918 00:44:35 -199.638480 0.0133 BFGS: 9919 00:44:35 -199.638536 0.0133 BFGS: 9920 00:44:35 -199.637786 0.0285 BFGS: 9921 00:44:36 -199.638402 0.0126 BFGS: 9922 00:44:36 -199.638287 0.0337 BFGS: 9923 00:44:36 -199.638532 0.0083 BFGS: 9924 00:44:36 -199.638480 0.0133 BFGS: 9925 00:44:37 -199.638536 0.0133 BFGS: 9926 00:44:37 -199.637785 0.0288 BFGS: 9927 00:44:37 -199.638403 0.0126 BFGS: 9928 00:44:38 -199.638287 0.0334 BFGS: 9929 00:44:38 -199.638532 0.0083 BFGS: 9930 00:44:38 -199.638480 0.0133 BFGS: 9931 00:44:39 -199.638536 0.0133 BFGS: 9932 00:44:39 -199.637785 0.0291 BFGS: 9933 00:44:39 -199.638403 0.0126 BFGS: 9934 00:44:40 -199.638288 0.0330 BFGS: 9935 00:44:40 -199.638532 0.0083 BFGS: 9936 00:44:40 -199.638480 0.0132 BFGS: 9937 00:44:40 -199.638536 0.0134 BFGS: 9938 00:44:40 -199.637785 0.0294 BFGS: 9939 00:44:40 -199.638403 0.0126 BFGS: 9940 00:44:40 -199.638288 0.0327 BFGS: 9941 00:44:41 -199.638532 0.0083 BFGS: 9942 00:44:41 -199.638480 0.0132 BFGS: 9943 00:44:41 -199.638536 0.0134 BFGS: 9944 00:44:42 -199.637784 0.0298 BFGS: 9945 00:44:42 -199.638403 0.0126 BFGS: 9946 00:44:43 -199.638288 0.0324 BFGS: 9947 00:44:43 -199.638532 0.0083 BFGS: 9948 00:44:43 -199.638480 0.0132 BFGS: 9949 00:44:44 -199.638536 0.0134 BFGS: 9950 00:44:44 -199.637784 0.0301 BFGS: 9951 00:44:44 -199.638403 0.0127 BFGS: 9952 00:44:45 -199.638289 0.0321 BFGS: 9953 00:44:45 -199.638532 0.0083 BFGS: 9954 00:44:45 -199.638480 0.0132 BFGS: 9955 00:44:45 -199.638536 0.0135 BFGS: 9956 00:44:45 -199.637783 0.0305 BFGS: 9957 00:44:45 -199.638403 0.0127 BFGS: 9958 00:44:45 -199.638289 0.0318 BFGS: 9959 00:44:45 -199.638532 0.0083 BFGS: 9960 00:44:45 -199.638481 0.0132 BFGS: 9961 00:44:46 -199.638536 0.0135 BFGS: 9962 00:44:46 -199.637783 0.0309 BFGS: 9963 00:44:46 -199.638403 0.0127 BFGS: 9964 00:44:46 -199.638290 0.0315 BFGS: 9965 00:44:46 -199.638532 0.0083 BFGS: 9966 00:44:46 -199.638481 0.0132 BFGS: 9967 00:44:46 -199.638536 0.0135 BFGS: 9968 00:44:46 -199.637783 0.0312 BFGS: 9969 00:44:47 -199.638403 0.0127 BFGS: 9970 00:44:47 -199.638290 0.0312 BFGS: 9971 00:44:47 -199.638532 0.0083 BFGS: 9972 00:44:47 -199.638481 0.0132 BFGS: 9973 00:44:47 -199.638536 0.0135 BFGS: 9974 00:44:47 -199.637782 0.0316 BFGS: 9975 00:44:47 -199.638403 0.0127 BFGS: 9976 00:44:48 -199.638290 0.0309 BFGS: 9977 00:44:48 -199.638532 0.0083 BFGS: 9978 00:44:48 -199.638481 0.0132 BFGS: 9979 00:44:49 -199.638537 0.0136 BFGS: 9980 00:44:49 -199.637782 0.0320 BFGS: 9981 00:44:49 -199.638403 0.0127 BFGS: 9982 00:44:49 -199.638291 0.0307 BFGS: 9983 00:44:50 -199.638532 0.0083 BFGS: 9984 00:44:50 -199.638481 0.0132 BFGS: 9985 00:44:50 -199.638537 0.0136 BFGS: 9986 00:44:50 -199.637781 0.0324 BFGS: 9987 00:44:50 -199.638403 0.0127 BFGS: 9988 00:44:50 -199.638291 0.0304 BFGS: 9989 00:44:50 -199.638532 0.0083 BFGS: 9990 00:44:50 -199.638481 0.0132 BFGS: 9991 00:44:50 -199.638537 0.0136 BFGS: 9992 00:44:51 -199.637781 0.0328 BFGS: 9993 00:44:51 -199.638403 0.0127 BFGS: 9994 00:44:51 -199.638292 0.0301 BFGS: 9995 00:44:52 -199.638532 0.0083 BFGS: 9996 00:44:52 -199.638481 0.0132 BFGS: 9997 00:44:52 -199.638537 0.0137 BFGS: 9998 00:44:53 -199.637780 0.0333 BFGS: 9999 00:44:53 -199.638403 0.0127 BFGS: 10000 00:44:53 -199.638292 0.0298 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.02644180652507222 eV/Angstrom Maximum stress component: 0.00048333775481481647 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.74824105 0.00310487 0.73502256] [0.25175895 0.99689513 0.26497744] [0.91045919 0.34021608 0.56386498] [0.08954081 0.65978392 0.43613502] [0.26939876 0.35106583 0.91683192] [0.73060124 0.64893417 0.08316808] [0.23054139 0.40586037 0.52756465] [0.76945861 0.59413963 0.47243535] [0.60514725 0.26448492 0.6603161 ] [0.39485275 0.73551508 0.3396839 ] [0.5237463 0.13005329 0.38016823] [0.4762537 0.86994671 0.61983177] [0.65282256 0.89791187 0.1168049 ] [0.34717744 0.10208813 0.8831951 ] [0.91831184 0.91333543 0.36917293] [0.08168816 0.08666457 0.63082707] [0.80575241 0.13248884 0.05998427] [0.19424759 0.86751116 0.94001573] [0.8582962 0.42576279 0.91696958] [0.1417038 0.57423721 0.08303042] [0.05112529 0.2516498 0.21623997] [0.94887471 0.7483502 0.78376003] [0.62680696 0.38408226 0.27979609] [0.37319304 0.61591774 0.72020391] [0.48165704 0.30481386 0.46413081] [0.51834296 0.69518614 0.53586919] [0.72995123 0.00473702 0.23141104] [0.27004877 0.99526298 0.76858896] [0.8432442 0.29850726 0.10136176] [0.1567558 0.70149274 0.89863824]] cellpar = Cell([[6.814526395870543, 0.10846041744411607, -0.22687115018737036], [3.406092959066758, 8.633944402855484, 0.012596566825153836], [1.4305091028132872, 0.32099212299929963, 6.507263836356608]]) forces = [[-6.94283495e-04 1.98196612e-04 -4.01905547e-04] [ 6.94283495e-04 -1.98196612e-04 4.01905547e-04] [-5.34295470e-03 -1.35988158e-03 -1.31055662e-02] [ 5.34295470e-03 1.35988158e-03 1.31055662e-02] [ 2.07600002e-03 -9.33655532e-03 -2.74709877e-04] [-2.07600002e-03 9.33655532e-03 2.74709877e-04] [-6.38535247e-04 -1.23539112e-04 -4.64583778e-04] [ 6.38535247e-04 1.23539112e-04 4.64583778e-04] [-1.49181062e-04 1.76987062e-05 2.05039977e-04] [ 1.49181062e-04 -1.76987062e-05 -2.05039977e-04] [ 2.04891472e-04 -3.71221884e-04 -2.54804840e-04] [-2.04891472e-04 3.71221884e-04 2.54804840e-04] [ 2.19510579e-04 5.20395293e-04 3.83745799e-04] [-2.19510579e-04 -5.20395293e-04 -3.83745799e-04] [-4.02129470e-04 -5.19116976e-05 -3.79328057e-04] [ 4.02129470e-04 5.19116976e-05 3.79328057e-04] [-5.99937012e-03 -1.02105918e-02 -1.41513624e-03] [ 5.99937012e-03 1.02105918e-02 1.41513624e-03] [ 8.10304254e-04 5.06667455e-03 -8.92339001e-03] [-8.10304254e-04 -5.06667455e-03 8.92339001e-03] [ 8.20591410e-03 -1.74036129e-03 3.93902450e-03] [-8.20591410e-03 1.74036129e-03 -3.93902450e-03] [-7.39326437e-03 4.60693305e-03 9.23943523e-03] [ 7.39326437e-03 -4.60693305e-03 -9.23943523e-03] [-1.16980229e-02 6.79407488e-04 1.44944373e-02] [ 1.16980229e-02 -6.79407488e-04 -1.44944373e-02] [-9.91833599e-03 -1.56303692e-02 5.40095899e-03] [ 9.91833599e-03 1.56303692e-02 -5.40095899e-03] [ 2.64418065e-02 9.69155157e-03 -7.32076277e-03] [-2.64418065e-02 -9.69155157e-03 7.32076277e-03]] stress = [-0.00034711 -0.00048334 -0.00011704 0.00010854 0.00032454 -0.00015453] energy per atom = -6.5531794263284455 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0 Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 1