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: ThreeBodyBondOrder_PPM_PurjaPunMishin_2017_Si__MO_566683736730_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 08:29:15 -734.882600 0.977116 BFGS: 1 08:29:15 -733.385058 0.762299 BFGS: 2 08:29:16 -735.313539 0.417980 BFGS: 3 08:29:16 -733.720646 0.577239 BFGS: 4 08:29:16 -735.511867 0.525742 BFGS: 5 08:29:17 -735.574217 0.873368 BFGS: 6 08:29:17 -737.273516 0.419391 BFGS: 7 08:29:18 -735.578265 0.566675 BFGS: 8 08:29:18 -737.337041 0.253131 BFGS: 9 08:29:19 -735.666718 0.546331 BFGS: 10 08:29:20 -735.707415 0.592277 BFGS: 11 08:29:20 -737.405418 0.250706 BFGS: 12 08:29:21 -737.433098 0.249007 BFGS: 13 08:29:22 -737.484552 0.249640 BFGS: 14 08:29:22 -737.509372 0.322089 BFGS: 15 08:29:23 -737.527897 0.340914 BFGS: 16 08:29:25 -735.894059 0.618215 BFGS: 17 08:29:26 -735.912816 0.612869 BFGS: 18 08:29:26 -737.603934 0.237369 BFGS: 19 08:29:27 -737.628401 0.197174 BFGS: 20 08:29:28 -737.650702 0.187598 BFGS: 21 08:29:29 -736.010937 0.556919 BFGS: 22 08:29:30 -736.064093 0.913748 BFGS: 23 08:29:30 -737.702664 0.214199 BFGS: 24 08:29:31 -736.062092 0.582241 BFGS: 25 08:29:32 -736.089027 0.617991 BFGS: 26 08:29:33 -736.106313 0.625237 BFGS: 27 08:29:35 -736.121791 0.617493 BFGS: 28 08:29:36 -737.771158 0.149546 BFGS: 29 08:29:37 -737.782041 0.145193 BFGS: 30 08:29:39 -737.794390 0.171750 BFGS: 31 08:29:40 -737.805635 0.181265 BFGS: 32 08:29:41 -737.817895 0.210777 BFGS: 33 08:29:42 -737.828616 0.229603 BFGS: 34 08:29:43 -737.839120 0.233330 BFGS: 35 08:29:44 -736.223847 0.859278 BFGS: 36 08:29:45 -736.233971 0.861980 BFGS: 37 08:29:45 -736.212278 0.572232 BFGS: 38 08:29:46 -736.225134 0.563545 BFGS: 39 08:29:47 -737.865552 0.212121 BFGS: 40 08:29:48 -737.870538 0.205916 BFGS: 41 08:29:49 -736.229673 0.553215 BFGS: 42 08:29:49 -736.235817 0.549348 BFGS: 43 08:29:50 -737.869986 0.225615 BFGS: 44 08:29:51 -737.877222 0.216530 BFGS: 45 08:29:53 -736.235943 0.542634 BFGS: 46 08:29:54 -736.243930 0.538853 BFGS: 47 08:29:56 -737.869220 0.235974 BFGS: 48 08:29:57 -737.879738 0.223467 BFGS: 49 08:29:58 -736.242189 0.536015 BFGS: 50 08:29:59 -737.885175 0.215816 BFGS: 51 08:30:00 -737.886888 0.213295 BFGS: 52 08:30:01 -734.592463 0.689853 BFGS: 53 08:30:03 -736.249185 0.530367 BFGS: 54 08:30:04 -737.870305 0.239058 BFGS: 55 08:30:05 -737.887294 0.218272 BFGS: 56 08:30:06 -736.247398 0.535461 BFGS: 57 08:30:07 -737.893166 0.211663 BFGS: 58 08:30:08 -736.257445 0.534465 BFGS: 59 08:30:09 -736.260184 0.536388 BFGS: 60 08:30:10 -736.283852 0.907557 BFGS: 61 08:30:11 -736.287712 0.905789 BFGS: 62 08:30:12 -736.259378 0.577033 BFGS: 63 08:30:14 -737.894665 0.228144 BFGS: 64 08:30:15 -737.898462 0.233553 BFGS: 65 08:30:16 -737.900101 0.232311 BFGS: 66 08:30:17 -736.288588 0.895387 BFGS: 67 08:30:17 -737.901997 0.225748 BFGS: 68 08:30:19 -736.269592 0.557089 BFGS: 69 08:30:20 -736.270871 0.553738 BFGS: 70 08:30:21 -737.905691 0.224058 BFGS: 71 08:30:22 -734.624741 0.656516 BFGS: 72 08:30:22 -736.275638 0.543725 BFGS: 73 08:30:23 -737.907156 0.227116 BFGS: 74 08:30:24 -736.298616 0.901367 BFGS: 75 08:30:24 -737.909990 0.236859 BFGS: 76 08:30:25 -736.280867 0.551745 BFGS: 77 08:30:25 -734.635397 0.655225 BFGS: 78 08:30:27 -734.637031 0.651110 BFGS: 79 08:30:28 -736.284869 0.557542 BFGS: 80 08:30:30 -736.286398 0.563921 BFGS: 81 08:30:31 -737.914663 0.245872 BFGS: 82 08:30:32 -737.915616 0.245176 BFGS: 83 08:30:33 -737.916999 0.241881 BFGS: 84 08:30:34 -737.917813 0.239636 BFGS: 85 08:30:38 -737.919791 0.236184 BFGS: 86 08:30:39 -737.921357 0.235600 BFGS: 87 08:30:41 -737.922846 0.236679 BFGS: 88 08:30:41 -737.924320 0.238682 BFGS: 89 08:30:42 -737.925798 0.241034 BFGS: 90 08:30:44 -737.927308 0.243227 BFGS: 91 08:30:45 -737.928909 0.244682 BFGS: 92 08:30:48 -737.930746 0.244409 BFGS: 93 08:30:51 -737.932502 0.241513 BFGS: 94 08:30:54 -734.654399 0.660455 BFGS: 95 08:30:57 -737.935440 0.236720 BFGS: 96 08:31:03 -737.936721 0.234463 BFGS: 97 08:31:06 -736.308327 0.583736 BFGS: 98 08:31:17 -736.309557 0.587681 BFGS: 99 08:31:25 -736.311518 0.594310 BFGS: 100 08:31:44 -737.939293 0.245998 BFGS: 101 08:32:11 -737.940629 0.242105 BFGS: 102 08:32:37 -736.310522 0.590623 BFGS: 103 08:32:58 -736.312663 0.594445 BFGS: 104 08:33:18 -737.941431 0.247915 BFGS: 105 08:33:28 -736.314622 0.596361 BFGS: 106 08:33:40 -736.315385 0.595818 BFGS: 107 08:33:49 -737.944378 0.247651 BFGS: 108 08:33:54 -736.329280 0.850043 BFGS: 109 08:34:08 -736.330741 0.850763 BFGS: 110 08:34:14 -736.315883 0.589142 BFGS: 111 08:34:27 -736.317420 0.588634 BFGS: 112 08:34:39 -736.330026 0.851087 BFGS: 113 08:34:51 -737.946341 0.243121 BFGS: 114 08:34:54 -734.664448 0.594969 BFGS: 115 08:35:01 -737.946975 0.240169 BFGS: 116 08:35:09 -736.332193 0.852882 BFGS: 117 08:35:15 -734.654521 0.608626 BFGS: 118 08:35:17 -734.663952 0.596656 BFGS: 119 08:35:24 -737.944606 0.247424 BFGS: 120 08:35:27 -737.947105 0.240955 BFGS: 121 08:35:30 -734.662657 0.598109 BFGS: 122 08:35:31 -734.665229 0.594568 BFGS: 123 08:35:34 -737.942789 0.251084 BFGS: 124 08:35:36 -737.946369 0.243562 BFGS: 125 08:35:37 -734.662098 0.598199 BFGS: 126 08:35:43 -737.947708 0.239927 BFGS: 127 08:35:45 -734.665095 0.594788 BFGS: 128 08:35:48 -736.318627 0.585198 BFGS: 129 08:35:49 -737.928732 0.284473 BFGS: 130 08:35:50 -737.944545 0.250947 BFGS: 131 08:35:52 -734.661903 0.600922 BFGS: 132 08:36:02 -737.947130 0.242547 BFGS: 133 08:36:04 -737.947858 0.239510 BFGS: 134 08:36:05 -734.659939 0.600583 BFGS: 135 08:36:07 -734.664652 0.595548 BFGS: 136 08:36:08 -737.936294 0.265631 BFGS: 137 08:36:09 -737.944783 0.248998 BFGS: 138 08:36:16 -734.658990 0.601092 BFGS: 139 08:36:21 -737.947327 0.241823 BFGS: 140 08:36:36 -736.318166 0.584549 BFGS: 141 08:36:38 -737.947653 0.240954 BFGS: 142 08:36:42 -737.947849 0.240404 BFGS: 143 08:36:45 -736.304774 0.587655 BFGS: 144 08:36:47 -736.315921 0.585525 BFGS: 145 08:36:49 -737.939013 0.258086 BFGS: 146 08:36:50 -737.944847 0.247936 BFGS: 147 08:36:51 -736.307835 0.587213 BFGS: 148 08:36:52 -737.947848 0.241121 BFGS: 149 08:36:53 -736.316467 0.585495 BFGS: 150 08:36:54 -736.318372 0.585123 BFGS: 151 08:36:56 -737.935714 0.263319 BFGS: 152 08:36:58 -737.943123 0.251599 BFGS: 153 08:36:59 -736.309195 0.587049 BFGS: 154 08:37:01 -737.947026 0.243354 BFGS: 155 08:37:03 -736.317710 0.585070 BFGS: 156 08:37:04 -737.947619 0.241797 BFGS: 157 08:37:04 -737.947975 0.240885 BFGS: 158 08:37:04 -736.297542 0.591469 BFGS: 159 08:37:04 -736.314035 0.586624 BFGS: 160 08:37:05 -737.938968 0.258520 BFGS: 161 08:37:06 -737.944686 0.248391 BFGS: 162 08:37:07 -736.304699 0.589761 BFGS: 163 08:37:07 -736.318656 0.584961 BFGS: 164 08:37:08 -737.934857 0.264852 BFGS: 165 08:37:09 -737.942092 0.253295 BFGS: 166 08:37:09 -736.308967 0.588471 BFGS: 167 08:37:10 -737.946611 0.244336 BFGS: 168 08:37:10 -736.317931 0.585183 BFGS: 169 08:37:11 -737.947375 0.242495 BFGS: 170 08:37:11 -737.947832 0.241417 BFGS: 171 08:37:12 -736.295764 0.594389 BFGS: 172 08:37:12 -736.313469 0.587411 BFGS: 173 08:37:14 -737.938179 0.259549 BFGS: 174 08:37:14 -737.944225 0.249156 BFGS: 175 08:37:15 -736.303414 0.591760 BFGS: 176 08:37:16 -736.318713 0.585016 BFGS: 177 08:37:17 -737.933919 0.265987 BFGS: 178 08:37:21 -737.941315 0.254429 BFGS: 179 08:37:23 -736.308408 0.589781 BFGS: 180 08:37:25 -737.946318 0.244948 BFGS: 181 08:37:27 -736.318037 0.585328 BFGS: 182 08:37:29 -737.947208 0.242916 BFGS: 183 08:37:29 -737.947744 0.241724 BFGS: 184 08:37:30 -736.294507 0.596745 BFGS: 185 08:37:30 -736.313038 0.588095 BFGS: 186 08:37:31 -737.937652 0.260103 BFGS: 187 08:37:33 -737.943901 0.249623 BFGS: 188 08:37:33 -736.302561 0.593329 BFGS: 189 08:37:34 -736.318782 0.585072 BFGS: 190 08:37:34 -737.933278 0.266635 BFGS: 191 08:37:36 -737.940747 0.255176 BFGS: 192 08:37:37 -736.308096 0.590755 BFGS: 193 08:37:38 -737.946071 0.245429 BFGS: 194 08:37:39 -736.318194 0.585406 BFGS: 195 08:37:40 -737.947051 0.243282 BFGS: 196 08:37:41 -737.947644 0.242019 BFGS: 197 08:37:41 -736.293843 0.598458 BFGS: 198 08:37:42 -736.312815 0.588592 BFGS: 199 08:37:42 -737.937299 0.260379 BFGS: 200 08:37:43 -737.943652 0.249951 BFGS: 201 08:37:46 -736.302121 0.594446 BFGS: 202 08:37:50 -736.318904 0.585081 BFGS: 203 08:37:53 -737.932860 0.266944 BFGS: 204 08:37:55 -737.940324 0.255677 BFGS: 205 08:38:05 -736.308021 0.591404 BFGS: 206 08:38:08 -737.945850 0.245840 BFGS: 207 08:38:12 -736.318407 0.585402 BFGS: 208 08:38:14 -737.946894 0.243628 BFGS: 209 08:38:18 -737.947527 0.242326 BFGS: 210 08:38:21 -734.639348 0.606914 BFGS: 211 08:38:22 -736.312950 0.588763 BFGS: 212 08:38:22 -737.936717 0.261677 BFGS: 213 08:38:25 -737.943255 0.250649 BFGS: 214 08:38:27 -736.302079 0.594958 BFGS: 215 08:38:29 -737.948206 0.241284 BFGS: 216 08:38:31 -736.314075 0.588209 BFGS: 217 08:38:32 -736.317546 0.586194 BFGS: 218 08:38:33 -737.933567 0.265251 BFGS: 219 08:38:34 -737.940788 0.254692 BFGS: 220 08:38:35 -736.306580 0.592652 BFGS: 221 08:38:36 -737.946287 0.245044 BFGS: 222 08:38:37 -736.317536 0.586084 BFGS: 223 08:38:38 -737.947342 0.242849 BFGS: 224 08:38:40 -737.947990 0.241545 BFGS: 225 08:38:44 -734.637354 0.607605 BFGS: 226 08:38:44 -736.311858 0.589728 BFGS: 227 08:38:45 -737.936972 0.261032 BFGS: 228 08:38:45 -737.943488 0.250171 BFGS: 229 08:38:46 -736.300835 0.596308 BFGS: 230 08:38:48 -736.318743 0.585331 BFGS: 231 08:38:52 -737.932372 0.267310 BFGS: 232 08:38:53 -737.939822 0.256240 BFGS: 233 08:38:54 -736.307484 0.592562 BFGS: 234 08:38:55 -737.945637 0.246256 BFGS: 235 08:38:58 -736.318501 0.585535 BFGS: 236 08:38:59 -737.946774 0.243959 BFGS: 237 08:39:03 -737.947470 0.242602 BFGS: 238 08:39:05 -734.637953 0.607317 BFGS: 239 08:39:08 -736.312588 0.589445 BFGS: 240 08:39:10 -737.936237 0.262013 BFGS: 241 08:39:11 -737.942925 0.251079 BFGS: 242 08:39:12 -736.301451 0.596361 BFGS: 243 08:39:13 -737.948191 0.241551 BFGS: 244 08:39:15 -736.313867 0.588696 BFGS: 245 08:39:18 -736.317583 0.586346 BFGS: 246 08:39:18 -737.933099 0.265448 BFGS: 247 08:39:20 -737.940324 0.255179 BFGS: 248 08:39:22 -736.306378 0.593515 BFGS: 249 08:39:23 -737.946059 0.245511 BFGS: 250 08:39:24 -736.317738 0.586127 BFGS: 251 08:39:25 -737.947191 0.243258 BFGS: 252 08:39:26 -737.947889 0.241916 BFGS: 253 08:39:26 -734.636531 0.607706 BFGS: 254 08:39:26 -736.311717 0.590188 BFGS: 255 08:39:27 -737.936584 0.261271 BFGS: 256 08:39:28 -737.943201 0.250554 BFGS: 257 08:39:30 -734.646286 0.603927 BFGS: 258 08:39:34 -737.948350 0.241160 BFGS: 259 08:39:36 -736.313577 0.588990 BFGS: 260 08:39:41 -736.317333 0.586563 BFGS: 261 08:39:49 -737.932993 0.265681 BFGS: 262 08:39:50 -737.940234 0.255281 BFGS: 263 08:39:52 -736.305995 0.593943 BFGS: 264 08:39:52 -737.946065 0.245519 BFGS: 265 08:39:53 -736.317628 0.586262 BFGS: 266 08:39:54 -737.947226 0.243242 BFGS: 267 08:39:55 -737.947945 0.241883 BFGS: 268 08:39:55 -734.635814 0.607830 BFGS: 269 08:39:56 -736.311440 0.590522 BFGS: 270 08:39:56 -737.936472 0.261312 BFGS: 271 08:39:58 -737.943146 0.250613 BFGS: 272 08:39:59 -734.645811 0.604023 BFGS: 273 08:40:05 -737.948396 0.241169 BFGS: 274 08:40:10 -736.313407 0.589218 BFGS: 275 08:40:12 -736.317256 0.586671 BFGS: 276 08:40:15 -737.932849 0.265736 BFGS: 277 08:40:16 -737.940102 0.255410 BFGS: 278 08:40:17 -736.305814 0.594280 BFGS: 279 08:40:21 -737.946015 0.245633 BFGS: 280 08:40:22 -736.317640 0.586303 BFGS: 281 08:40:23 -737.947203 0.243336 BFGS: 282 08:40:28 -737.947940 0.241964 BFGS: 283 08:40:29 -734.635406 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-736.300123 0.597429 BFGS: 2177 09:14:29 -736.318923 0.583307 BFGS: 2178 09:14:29 -737.933912 0.263339 BFGS: 2179 09:14:29 -737.939746 0.255463 BFGS: 2180 09:14:30 -736.308551 0.591162 BFGS: 2181 09:14:31 -737.945173 0.247745 BFGS: 2182 09:14:31 -737.948506 0.242821 BFGS: 2183 09:14:32 -736.291914 0.603700 BFGS: 2184 09:14:32 -736.311180 0.589330 BFGS: 2185 09:14:33 -737.938392 0.257124 BFGS: 2186 09:14:33 -737.943882 0.249520 BFGS: 2187 09:14:33 -736.301047 0.596937 BFGS: 2188 09:14:33 -737.948986 0.242129 BFGS: 2189 09:14:33 -736.313445 0.587617 BFGS: 2190 09:14:34 -736.317504 0.584516 BFGS: 2191 09:14:34 -736.318148 0.870640 BFGS: 2192 09:14:34 -737.940871 0.253834 BFGS: 2193 09:14:35 -734.653063 0.599645 BFGS: 2194 09:14:35 -737.946212 0.246172 BFGS: 2195 09:14:36 -734.664869 0.596998 BFGS: 2196 09:14:36 -737.947373 0.244359 BFGS: 2197 09:14:37 -737.948118 0.243204 BFGS: 2198 09:14:37 -734.639590 0.602003 BFGS: 2199 09:14:38 -734.658283 0.598238 BFGS: 2200 09:14:38 -737.938177 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-734.657506 0.598426 BFGS: 2250 09:15:03 -737.938286 0.257257 BFGS: 2251 09:15:04 -737.943850 0.249510 BFGS: 2252 09:15:04 -734.647330 0.600387 BFGS: 2253 09:15:04 -737.949018 0.242009 BFGS: 2254 09:15:04 -736.313330 0.587723 BFGS: 2255 09:15:05 -736.317429 0.584576 BFGS: 2256 09:15:05 -736.318077 0.870785 BFGS: 2257 09:15:06 -737.940848 0.253874 BFGS: 2258 09:15:06 -734.652915 0.599664 BFGS: 2259 09:15:07 -737.946225 0.246153 BFGS: 2260 09:15:07 -734.664812 0.597024 BFGS: 2261 09:15:08 -737.947393 0.244332 BFGS: 2262 09:15:08 -736.332441 0.856486 BFGS: 2263 09:15:09 -736.303919 0.599769 BFGS: 2264 09:15:09 -736.315157 0.587672 BFGS: 2265 09:15:09 -736.318093 0.875208 BFGS: 2266 09:15:10 -736.325277 0.864929 BFGS: 2267 09:15:11 -736.303419 0.599740 BFGS: 2268 09:15:11 -737.947425 0.245419 BFGS: 2269 09:15:12 -736.316249 0.586828 BFGS: 2270 09:15:12 -737.948562 0.243578 BFGS: 2271 09:15:12 -736.318981 0.583983 BFGS: 2272 09:15:13 -737.948819 0.242907 BFGS: 2273 09:15:13 -737.948986 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-734.644967 0.603928 BFGS: 3272 09:29:49 -736.318684 0.583577 BFGS: 3273 09:29:49 -737.932031 0.269006 BFGS: 3274 09:29:50 -737.938991 0.258319 BFGS: 3275 09:29:50 -736.306918 0.591407 BFGS: 3276 09:29:51 -737.945158 0.248166 BFGS: 3277 09:29:52 -737.948741 0.241985 BFGS: 3278 09:29:53 -734.634452 0.607493 BFGS: 3279 09:29:55 -736.309922 0.589531 BFGS: 3280 09:29:56 -737.937341 0.260828 BFGS: 3281 09:29:59 -737.943678 0.250657 BFGS: 3282 09:30:02 -734.644953 0.603890 BFGS: 3283 09:30:02 -736.318659 0.583610 BFGS: 3284 09:30:02 -737.932033 0.268973 BFGS: 3285 09:30:03 -737.938993 0.258300 BFGS: 3286 09:30:04 -736.306894 0.591435 BFGS: 3287 09:30:05 -737.945163 0.248160 BFGS: 3288 09:30:05 -737.948748 0.241985 BFGS: 3289 09:30:05 -734.634434 0.607453 BFGS: 3290 09:30:05 -736.309894 0.589563 BFGS: 3291 09:30:06 -737.937345 0.260803 BFGS: 3292 09:30:06 -737.943683 0.250644 BFGS: 3293 09:30:06 -734.644938 0.603854 BFGS: 3294 09:30:07 -736.318632 0.583644 BFGS: 3295 09:30:08 -737.932036 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-736.298425 0.597977 BFGS: 3637 09:33:35 -736.319092 0.583424 BFGS: 3638 09:33:36 -737.931513 0.268853 BFGS: 3639 09:33:36 -737.938358 0.259025 BFGS: 3640 09:33:36 -736.307298 0.591791 BFGS: 3641 09:33:37 -737.944542 0.249656 BFGS: 3642 09:33:37 -737.948228 0.243764 BFGS: 3643 09:33:38 -736.288463 0.604758 BFGS: 3644 09:33:38 -736.310139 0.589857 BFGS: 3645 09:33:38 -737.936770 0.261255 BFGS: 3646 09:33:38 -737.943101 0.251782 BFGS: 3647 09:33:39 -736.298552 0.597913 BFGS: 3648 09:33:40 -737.948826 0.242789 BFGS: 3649 09:33:40 -736.312458 0.588227 BFGS: 3650 09:33:41 -736.316934 0.585029 BFGS: 3651 09:33:41 -737.932758 0.266561 BFGS: 3652 09:33:42 -737.939493 0.257004 BFGS: 3653 09:33:42 -736.305239 0.593191 BFGS: 3654 09:33:43 -737.945560 0.247969 BFGS: 3655 09:33:44 -736.318525 0.583835 BFGS: 3656 09:33:44 -737.946852 0.245865 BFGS: 3657 09:33:46 -737.947675 0.244512 BFGS: 3658 09:33:47 -736.289742 0.604654 BFGS: 3659 09:33:47 -736.311231 0.589318 BFGS: 3660 09:33:48 -737.936190 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-736.309989 0.593750 BFGS: 4878 09:46:35 -736.311936 0.876877 BFGS: 4879 09:46:37 -737.945513 0.246260 BFGS: 4880 09:46:37 -736.316904 0.586223 BFGS: 4881 09:46:38 -737.946435 0.244973 BFGS: 4882 09:46:38 -737.947092 0.244068 BFGS: 4883 09:46:40 -736.288226 0.613990 BFGS: 4884 09:46:41 -736.313221 0.589857 BFGS: 4885 09:46:42 -736.308690 0.879638 BFGS: 4886 09:46:42 -736.326810 0.863199 BFGS: 4887 09:46:44 -736.295914 0.607337 BFGS: 4888 09:46:44 -736.312513 0.590937 BFGS: 4889 09:46:45 -736.309484 0.878897 BFGS: 4890 09:46:46 -736.327554 0.862370 BFGS: 4891 09:46:46 -736.295164 0.608379 BFGS: 4892 09:46:47 -736.311807 0.591810 BFGS: 4893 09:46:47 -736.310215 0.878299 BFGS: 4894 09:46:47 -736.328268 0.861673 BFGS: 4895 09:46:48 -736.294432 0.609265 BFGS: 4896 09:46:49 -736.311124 0.592579 BFGS: 4897 09:46:49 -736.310907 0.877731 BFGS: 4898 09:46:49 -736.328952 0.861033 BFGS: 4899 09:46:50 -736.293727 0.610055 BFGS: 4900 09:46:50 -736.310467 0.593287 BFGS: 4901 09:46:51 -736.311568 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-736.316653 0.588874 BFGS: 6703 10:09:30 -736.323119 0.866226 BFGS: 6704 10:09:30 -737.945020 0.247689 BFGS: 6705 10:09:30 -737.946279 0.246575 BFGS: 6706 10:09:31 -736.302541 0.603054 BFGS: 6707 10:09:31 -737.947438 0.245462 BFGS: 6708 10:09:31 -736.314310 0.591318 BFGS: 6709 10:09:31 -736.316586 0.588955 BFGS: 6710 10:09:31 -736.323247 0.866110 BFGS: 6711 10:09:32 -737.945038 0.247672 BFGS: 6712 10:09:32 -737.946293 0.246561 BFGS: 6713 10:09:33 -736.302496 0.603103 BFGS: 6714 10:09:33 -736.317154 0.588328 BFGS: 6715 10:09:34 -736.322650 0.866696 BFGS: 6716 10:09:34 -737.944863 0.247857 BFGS: 6717 10:09:35 -737.946142 0.246728 BFGS: 6718 10:09:35 -736.303063 0.602535 BFGS: 6719 10:09:36 -737.947316 0.245609 BFGS: 6720 10:09:36 -736.314705 0.590896 BFGS: 6721 10:09:38 -736.316976 0.588533 BFGS: 6722 10:09:38 -736.322900 0.866452 BFGS: 6723 10:09:38 -737.944915 0.247805 BFGS: 6724 10:09:39 -737.946185 0.246687 BFGS: 6725 10:09:40 -736.302911 0.602688 BFGS: 6726 10:09:41 -737.947350 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-736.316731 0.588852 BFGS: 6776 10:10:10 -736.323580 0.865851 BFGS: 6777 10:10:10 -737.944970 0.247765 BFGS: 6778 10:10:14 -737.946221 0.246665 BFGS: 6779 10:10:27 -736.302841 0.602788 BFGS: 6780 10:10:32 -737.947364 0.245572 BFGS: 6781 10:10:33 -736.314407 0.591272 BFGS: 6782 10:10:33 -736.316648 0.588950 BFGS: 6783 10:10:36 -736.323725 0.865719 BFGS: 6784 10:10:36 -737.944992 0.247744 BFGS: 6785 10:10:37 -737.946239 0.246647 BFGS: 6786 10:10:38 -736.302782 0.602851 BFGS: 6787 10:10:39 -737.947378 0.245558 BFGS: 6788 10:10:40 -736.314346 0.591345 BFGS: 6789 10:10:40 -736.316584 0.589028 BFGS: 6790 10:10:41 -736.323849 0.865606 BFGS: 6791 10:10:41 -737.945009 0.247727 BFGS: 6792 10:10:42 -737.946252 0.246633 BFGS: 6793 10:10:44 -736.302740 0.602898 BFGS: 6794 10:10:45 -737.947388 0.245548 BFGS: 6795 10:10:52 -736.314298 0.591404 BFGS: 6796 10:10:53 -736.316532 0.589092 BFGS: 6797 10:10:54 -736.323958 0.865507 BFGS: 6798 10:10:55 -737.945021 0.247715 BFGS: 6799 10:10:55 -737.946262 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-736.317081 0.588534 BFGS: 6849 10:11:28 -736.323736 0.865780 BFGS: 6850 10:11:28 -737.944834 0.247924 BFGS: 6851 10:11:29 -737.946091 0.246823 BFGS: 6852 10:11:30 -736.303397 0.602272 BFGS: 6853 10:11:30 -737.947231 0.245745 BFGS: 6854 10:11:30 -736.314709 0.591007 BFGS: 6855 10:11:31 -736.316917 0.588721 BFGS: 6856 10:11:31 -736.323967 0.865554 BFGS: 6857 10:11:31 -737.944882 0.247876 BFGS: 6858 10:11:32 -737.946130 0.246786 BFGS: 6859 10:11:32 -736.303258 0.602411 BFGS: 6860 10:11:32 -737.947263 0.245713 BFGS: 6861 10:11:33 -736.314586 0.591145 BFGS: 6862 10:11:33 -736.316790 0.588866 BFGS: 6863 10:11:34 -736.324158 0.865377 BFGS: 6864 10:11:34 -737.944918 0.247842 BFGS: 6865 10:11:35 -737.946160 0.246757 BFGS: 6866 10:11:35 -736.303157 0.602515 BFGS: 6867 10:11:35 -737.947286 0.245689 BFGS: 6868 10:11:35 -736.314491 0.591253 BFGS: 6869 10:11:36 -736.316692 0.588979 BFGS: 6870 10:11:36 -736.324318 0.865230 BFGS: 6871 10:11:36 -737.944945 0.247816 BFGS: 6872 10:11:37 -737.946182 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-737.947254 0.245739 BFGS: 6922 10:11:56 -736.314485 0.591305 BFGS: 6923 10:11:58 -736.316661 0.589061 BFGS: 6924 10:11:59 -736.324747 0.864871 BFGS: 6925 10:11:59 -737.944934 0.247840 BFGS: 6926 10:11:59 -737.946161 0.246770 BFGS: 6927 10:11:59 -736.303212 0.602494 BFGS: 6928 10:12:01 -737.947270 0.245722 BFGS: 6929 10:12:01 -736.314415 0.591386 BFGS: 6930 10:12:02 -736.316588 0.589148 BFGS: 6931 10:12:02 -736.324879 0.864750 BFGS: 6932 10:12:03 -737.944953 0.247821 BFGS: 6933 10:12:04 -737.946177 0.246755 BFGS: 6934 10:12:08 -736.303161 0.602548 BFGS: 6935 10:12:09 -737.947281 0.245710 BFGS: 6936 10:12:10 -736.314361 0.591452 BFGS: 6937 10:12:11 -736.316530 0.589218 BFGS: 6938 10:12:11 -736.324994 0.864647 BFGS: 6939 10:12:13 -737.944968 0.247807 BFGS: 6940 10:12:14 -737.946188 0.246743 BFGS: 6941 10:12:14 -736.303125 0.602588 BFGS: 6942 10:12:15 -737.947289 0.245702 BFGS: 6943 10:12:16 -736.314318 0.591504 BFGS: 6944 10:12:18 -736.316484 0.589275 BFGS: 6945 10:12:19 -736.325095 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-736.314730 0.590986 BFGS: 7141 10:14:42 -736.316897 0.588803 BFGS: 7142 10:15:15 -737.941411 0.250693 BFGS: 7143 10:15:18 -737.943308 0.249367 BFGS: 7144 10:15:19 -736.311956 0.593635 BFGS: 7145 10:15:20 -737.944908 0.248118 BFGS: 7146 10:15:21 -737.945932 0.247232 BFGS: 7147 10:15:22 -736.303994 0.601437 BFGS: 7148 10:15:23 -737.947119 0.246105 BFGS: 7149 10:15:24 -736.314700 0.591017 BFGS: 7150 10:15:27 -736.316868 0.588831 BFGS: 7151 10:15:31 -737.941419 0.250719 BFGS: 7152 10:15:41 -737.943317 0.249382 BFGS: 7153 10:15:47 -736.311927 0.593669 BFGS: 7154 10:15:49 -737.944918 0.248123 BFGS: 7155 10:15:50 -737.945943 0.247231 BFGS: 7156 10:15:51 -736.303965 0.601470 BFGS: 7157 10:15:51 -737.947131 0.246097 BFGS: 7158 10:15:52 -736.314666 0.591049 BFGS: 7159 10:15:52 -736.316835 0.588862 BFGS: 7160 10:15:54 -737.941431 0.250737 BFGS: 7161 10:15:54 -737.943329 0.249392 BFGS: 7162 10:15:55 -736.311895 0.593703 BFGS: 7163 10:15:55 -737.944930 0.248125 BFGS: 7164 10:15:56 -737.945955 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-736.316594 0.589087 BFGS: 7214 10:16:34 -737.941523 0.250774 BFGS: 7215 10:16:34 -737.943414 0.249399 BFGS: 7216 10:16:35 -736.311666 0.593901 BFGS: 7217 10:16:35 -737.945014 0.248103 BFGS: 7218 10:16:35 -737.946040 0.247187 BFGS: 7219 10:16:36 -736.303716 0.601647 BFGS: 7220 10:16:36 -737.947234 0.246023 BFGS: 7221 10:16:36 -736.314379 0.591305 BFGS: 7222 10:16:37 -736.316551 0.589126 BFGS: 7223 10:16:38 -737.941540 0.250775 BFGS: 7224 10:16:39 -737.943430 0.249396 BFGS: 7225 10:16:39 -736.311626 0.593933 BFGS: 7226 10:16:40 -737.945028 0.248098 BFGS: 7227 10:16:41 -737.946055 0.247178 BFGS: 7228 10:16:42 -736.303678 0.601670 BFGS: 7229 10:16:43 -737.947250 0.246012 BFGS: 7230 10:16:44 -736.314336 0.591343 BFGS: 7231 10:16:44 -736.316508 0.589165 BFGS: 7232 10:16:45 -737.941557 0.250775 BFGS: 7233 10:16:45 -737.943445 0.249393 BFGS: 7234 10:16:46 -736.311585 0.593966 BFGS: 7235 10:16:46 -737.945043 0.248091 BFGS: 7236 10:16:47 -737.946070 0.247170 BFGS: 7237 10:16:47 -736.303639 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-736.311686 0.593825 BFGS: 7287 10:17:25 -737.945030 0.248165 BFGS: 7288 10:17:25 -737.946066 0.247223 BFGS: 7289 10:17:26 -736.303737 0.601532 BFGS: 7290 10:17:26 -737.947276 0.246026 BFGS: 7291 10:17:27 -736.314306 0.591323 BFGS: 7292 10:17:27 -736.316480 0.589152 BFGS: 7293 10:17:27 -737.941574 0.250877 BFGS: 7294 10:17:27 -737.943465 0.249463 BFGS: 7295 10:17:28 -736.311566 0.593931 BFGS: 7296 10:17:29 -737.945070 0.248131 BFGS: 7297 10:17:29 -737.946103 0.247189 BFGS: 7298 10:17:29 -736.303626 0.601617 BFGS: 7299 10:17:30 -737.947310 0.245993 BFGS: 7300 10:17:31 -736.314203 0.591419 BFGS: 7301 10:17:31 -736.316376 0.589252 BFGS: 7302 10:17:32 -737.941617 0.250847 BFGS: 7303 10:17:32 -737.943502 0.249435 BFGS: 7304 10:17:33 -736.311468 0.594017 BFGS: 7305 10:17:33 -737.945103 0.248104 BFGS: 7306 10:17:34 -737.946134 0.247162 BFGS: 7307 10:17:34 -736.303534 0.601685 BFGS: 7308 10:17:34 -736.316924 0.588668 BFGS: 7309 10:17:35 -737.941404 0.251111 BFGS: 7310 10:17:35 -737.943319 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-736.314259 0.591313 BFGS: 7360 10:18:05 -736.316433 0.589151 BFGS: 7361 10:18:06 -737.941610 0.250964 BFGS: 7362 10:18:07 -737.943499 0.249521 BFGS: 7363 10:18:07 -736.311535 0.593899 BFGS: 7364 10:18:08 -737.945108 0.248161 BFGS: 7365 10:18:09 -737.946145 0.247201 BFGS: 7366 10:18:10 -736.303610 0.601534 BFGS: 7367 10:18:11 -736.316917 0.588634 BFGS: 7368 10:18:11 -737.941423 0.251202 BFGS: 7369 10:18:12 -737.943337 0.249715 BFGS: 7370 10:18:12 -736.312008 0.593437 BFGS: 7371 10:18:13 -737.944969 0.248323 BFGS: 7372 10:18:13 -737.946018 0.247347 BFGS: 7373 10:18:14 -736.304053 0.601137 BFGS: 7374 10:18:14 -737.947254 0.246105 BFGS: 7375 10:18:14 -736.314460 0.591097 BFGS: 7376 10:18:15 -736.316634 0.588932 BFGS: 7377 10:18:16 -737.941536 0.251073 BFGS: 7378 10:18:23 -737.943436 0.249613 BFGS: 7379 10:18:24 -736.311732 0.593697 BFGS: 7380 10:18:25 -737.945055 0.248236 BFGS: 7381 10:18:25 -737.946098 0.247266 BFGS: 7382 10:18:26 -736.303801 0.601345 BFGS: 7383 10:18:27 -737.947325 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-736.303730 0.601334 BFGS: 7433 10:18:57 -736.316937 0.588566 BFGS: 7434 10:18:58 -737.941438 0.251300 BFGS: 7435 10:18:59 -737.943352 0.249787 BFGS: 7436 10:19:00 -736.312046 0.593341 BFGS: 7437 10:19:02 -737.944987 0.248369 BFGS: 7438 10:19:03 -737.946040 0.247377 BFGS: 7439 10:19:03 -736.304111 0.600993 BFGS: 7440 10:19:04 -737.947285 0.246112 BFGS: 7441 10:19:04 -736.314426 0.591073 BFGS: 7442 10:19:05 -736.316599 0.588918 BFGS: 7443 10:19:06 -737.941575 0.251143 BFGS: 7444 10:19:06 -737.943470 0.249660 BFGS: 7445 10:19:07 -736.311718 0.593648 BFGS: 7446 10:19:07 -737.945090 0.248262 BFGS: 7447 10:19:07 -737.946136 0.247277 BFGS: 7448 10:19:08 -736.303809 0.601241 BFGS: 7449 10:19:08 -736.316984 0.588506 BFGS: 7450 10:19:09 -737.941427 0.251341 BFGS: 7451 10:19:09 -737.943342 0.249820 BFGS: 7452 10:19:09 -736.312097 0.593277 BFGS: 7453 10:19:10 -737.944979 0.248394 BFGS: 7454 10:19:10 -737.946034 0.247397 BFGS: 7455 10:19:11 -736.304166 0.600921 BFGS: 7456 10:19:11 -737.947283 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-736.314409 0.591032 BFGS: 7506 10:19:36 -736.316577 0.588889 BFGS: 7507 10:19:37 -737.941618 0.251204 BFGS: 7508 10:19:38 -737.943505 0.249703 BFGS: 7509 10:19:40 -736.311721 0.593582 BFGS: 7510 10:19:40 -737.945124 0.248286 BFGS: 7511 10:19:41 -737.946170 0.247289 BFGS: 7512 10:19:41 -736.303842 0.601120 BFGS: 7513 10:19:42 -736.316930 0.588512 BFGS: 7514 10:19:43 -737.941483 0.251387 BFGS: 7515 10:19:43 -737.943387 0.249850 BFGS: 7516 10:19:43 -736.312069 0.593242 BFGS: 7517 10:19:44 -737.945022 0.248408 BFGS: 7518 10:19:44 -737.946076 0.247400 BFGS: 7519 10:19:45 -736.304171 0.600825 BFGS: 7520 10:19:45 -737.947329 0.246113 BFGS: 7521 10:19:46 -736.314378 0.591048 BFGS: 7522 10:19:46 -736.316545 0.588909 BFGS: 7523 10:19:46 -737.941639 0.251205 BFGS: 7524 10:19:47 -737.943523 0.249701 BFGS: 7525 10:19:47 -736.311696 0.593590 BFGS: 7526 10:19:47 -737.945140 0.248282 BFGS: 7527 10:19:48 -737.946186 0.247283 BFGS: 7528 10:19:48 -736.303826 0.601110 BFGS: 7529 10:19:49 -736.316896 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-736.311727 0.593430 BFGS: 7652 10:21:31 -737.945199 0.248328 BFGS: 7653 10:21:31 -737.946246 0.247312 BFGS: 7654 10:21:32 -736.303917 0.600840 BFGS: 7655 10:21:33 -736.316817 0.588512 BFGS: 7656 10:21:33 -737.941606 0.251456 BFGS: 7657 10:21:35 -737.943489 0.249897 BFGS: 7658 10:21:36 -736.312013 0.593148 BFGS: 7659 10:21:37 -737.945114 0.248431 BFGS: 7660 10:21:38 -737.946169 0.247406 BFGS: 7661 10:21:38 -736.304189 0.600595 BFGS: 7662 10:21:39 -736.317040 0.588281 BFGS: 7663 10:21:39 -737.941521 0.251564 BFGS: 7664 10:21:39 -737.943415 0.249990 BFGS: 7665 10:21:39 -736.312231 0.592941 BFGS: 7666 10:21:40 -737.945050 0.248510 BFGS: 7667 10:21:40 -737.946109 0.247477 BFGS: 7668 10:21:40 -736.304397 0.600410 BFGS: 7669 10:21:41 -737.947378 0.246154 BFGS: 7670 10:21:41 -736.314392 0.590895 BFGS: 7671 10:21:41 -736.316549 0.588782 BFGS: 7672 10:21:42 -737.941722 0.251327 BFGS: 7673 10:21:43 -737.943589 0.249794 BFGS: 7674 10:21:43 -736.311756 0.593379 BFGS: 7675 10:21:43 -737.945203 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-736.316769 0.588504 BFGS: 7725 10:22:00 -737.941670 0.251481 BFGS: 7726 10:22:00 -737.943540 0.249914 BFGS: 7727 10:22:00 -736.311996 0.593094 BFGS: 7728 10:22:01 -737.945160 0.248439 BFGS: 7729 10:22:01 -737.946213 0.247407 BFGS: 7730 10:22:01 -736.304213 0.600474 BFGS: 7731 10:22:01 -736.316973 0.588292 BFGS: 7732 10:22:02 -737.941593 0.251581 BFGS: 7733 10:22:02 -737.943472 0.250000 BFGS: 7734 10:22:02 -736.312196 0.592903 BFGS: 7735 10:22:03 -737.945101 0.248511 BFGS: 7736 10:22:03 -737.946158 0.247473 BFGS: 7737 10:22:03 -736.304405 0.600303 BFGS: 7738 10:22:04 -737.947429 0.246140 BFGS: 7739 10:22:04 -736.314317 0.590902 BFGS: 7740 10:22:04 -736.316467 0.588805 BFGS: 7741 10:22:05 -737.941799 0.251335 BFGS: 7742 10:22:05 -737.943653 0.249795 BFGS: 7743 10:22:05 -736.311708 0.593352 BFGS: 7744 10:22:05 -737.945259 0.248338 BFGS: 7745 10:22:06 -737.946305 0.247314 BFGS: 7746 10:22:06 -736.303951 0.600675 BFGS: 7747 10:22:06 -736.316730 0.588524 BFGS: 7748 10:22:07 -737.941701 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-736.312133 0.592820 BFGS: 7871 10:22:50 -737.945200 0.248510 BFGS: 7872 10:22:51 -737.946253 0.247462 BFGS: 7873 10:22:51 -736.304425 0.600085 BFGS: 7874 10:22:52 -736.316980 0.588168 BFGS: 7875 10:22:53 -737.941685 0.251662 BFGS: 7876 10:22:53 -737.943543 0.250065 BFGS: 7877 10:22:54 -736.312263 0.592695 BFGS: 7878 10:22:54 -737.945162 0.248558 BFGS: 7879 10:22:54 -737.946218 0.247506 BFGS: 7880 10:22:55 -736.304553 0.599969 BFGS: 7881 10:22:55 -736.317082 0.588062 BFGS: 7882 10:22:56 -737.941648 0.251714 BFGS: 7883 10:22:56 -737.943510 0.250109 BFGS: 7884 10:22:57 -736.312366 0.592596 BFGS: 7885 10:22:57 -737.945133 0.248595 BFGS: 7886 10:22:57 -737.946192 0.247540 BFGS: 7887 10:22:58 -736.304656 0.599873 BFGS: 7888 10:22:58 -737.947473 0.246181 BFGS: 7889 10:22:58 -736.314359 0.590720 BFGS: 7890 10:22:59 -736.316494 0.588650 BFGS: 7891 10:22:59 -737.941890 0.251425 BFGS: 7892 10:22:59 -737.943722 0.249867 BFGS: 7893 10:23:00 -736.311799 0.593111 BFGS: 7894 10:23:00 -737.945320 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-736.317102 0.587810 BFGS: 8163 10:25:39 -737.941848 0.251828 BFGS: 8164 10:25:40 -737.943661 0.250202 BFGS: 8165 10:25:41 -736.312516 0.592170 BFGS: 8166 10:25:42 -737.945259 0.248662 BFGS: 8167 10:25:43 -737.946310 0.247587 BFGS: 8168 10:25:44 -736.304984 0.599199 BFGS: 8169 10:25:46 -736.317097 0.587810 BFGS: 8170 10:25:48 -737.941856 0.251827 BFGS: 8171 10:25:49 -737.943667 0.250201 BFGS: 8172 10:25:50 -736.312514 0.592165 BFGS: 8173 10:25:51 -737.945265 0.248661 BFGS: 8174 10:25:51 -737.946315 0.247586 BFGS: 8175 10:25:52 -736.304987 0.599187 BFGS: 8176 10:25:53 -736.317091 0.587810 BFGS: 8177 10:25:54 -737.941864 0.251826 BFGS: 8178 10:25:55 -737.943673 0.250200 BFGS: 8179 10:25:55 -736.312512 0.592160 BFGS: 8180 10:25:56 -737.945270 0.248660 BFGS: 8181 10:25:57 -737.946320 0.247585 BFGS: 8182 10:25:58 -736.304989 0.599175 BFGS: 8183 10:25:59 -736.317084 0.587810 BFGS: 8184 10:25:59 -737.941872 0.251825 BFGS: 8185 10:26:00 -737.943679 0.250199 BFGS: 8186 10:26:02 -736.312508 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-736.312475 0.592134 BFGS: 8236 10:26:18 -737.945318 0.248645 BFGS: 8237 10:26:18 -737.946364 0.247570 BFGS: 8238 10:26:19 -736.304991 0.599094 BFGS: 8239 10:26:19 -736.317016 0.587826 BFGS: 8240 10:26:19 -737.941941 0.251806 BFGS: 8241 10:26:20 -737.943736 0.250182 BFGS: 8242 10:26:20 -736.312469 0.592132 BFGS: 8243 10:26:21 -737.945324 0.248643 BFGS: 8244 10:26:21 -737.946370 0.247567 BFGS: 8245 10:26:22 -736.304990 0.599084 BFGS: 8246 10:26:22 -736.317007 0.587829 BFGS: 8247 10:26:23 -737.941950 0.251803 BFGS: 8248 10:26:23 -737.943743 0.250180 BFGS: 8249 10:26:24 -736.312463 0.592130 BFGS: 8250 10:26:24 -737.945330 0.248640 BFGS: 8251 10:26:24 -737.946376 0.247565 BFGS: 8252 10:26:25 -736.304989 0.599075 BFGS: 8253 10:26:25 -736.316998 0.587832 BFGS: 8254 10:26:26 -737.941959 0.251800 BFGS: 8255 10:26:26 -737.943751 0.250177 BFGS: 8256 10:26:27 -736.312457 0.592128 BFGS: 8257 10:26:28 -737.945337 0.248638 BFGS: 8258 10:26:30 -737.946382 0.247563 BFGS: 8259 10:26:30 -736.304987 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-736.304974 0.599008 BFGS: 8309 10:26:49 -736.316918 0.587859 BFGS: 8310 10:26:50 -737.942032 0.251774 BFGS: 8311 10:26:50 -737.943811 0.250155 BFGS: 8312 10:26:50 -736.312404 0.592116 BFGS: 8313 10:26:50 -737.945389 0.248617 BFGS: 8314 10:26:51 -737.946431 0.247542 BFGS: 8315 10:26:51 -736.304971 0.599001 BFGS: 8316 10:26:51 -736.316908 0.587863 BFGS: 8317 10:26:51 -737.942041 0.251771 BFGS: 8318 10:26:52 -737.943818 0.250152 BFGS: 8319 10:26:52 -736.312397 0.592115 BFGS: 8320 10:26:52 -737.945395 0.248614 BFGS: 8321 10:26:52 -737.946437 0.247539 BFGS: 8322 10:26:53 -736.304969 0.598993 BFGS: 8323 10:26:53 -736.316898 0.587867 BFGS: 8324 10:26:53 -737.942050 0.251767 BFGS: 8325 10:26:54 -737.943826 0.250149 BFGS: 8326 10:26:54 -736.312390 0.592115 BFGS: 8327 10:26:54 -737.945402 0.248611 BFGS: 8328 10:26:55 -737.946443 0.247536 BFGS: 8329 10:26:55 -736.304966 0.598985 BFGS: 8330 10:26:55 -736.316887 0.587871 BFGS: 8331 10:26:56 -737.942059 0.251764 BFGS: 8332 10:26:56 -737.943833 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-737.946558 0.247477 BFGS: 8455 10:27:54 -736.304903 0.598869 BFGS: 8456 10:27:55 -736.316690 0.587951 BFGS: 8457 10:27:55 -737.942224 0.251698 BFGS: 8458 10:27:55 -737.943971 0.250085 BFGS: 8459 10:27:55 -736.312241 0.592112 BFGS: 8460 10:27:55 -737.945530 0.248550 BFGS: 8461 10:27:55 -737.946564 0.247474 BFGS: 8462 10:27:56 -736.304898 0.598863 BFGS: 8463 10:27:56 -736.316679 0.587956 BFGS: 8464 10:27:56 -737.942233 0.251694 BFGS: 8465 10:27:56 -737.943979 0.250081 BFGS: 8466 10:27:56 -736.312233 0.592113 BFGS: 8467 10:27:56 -737.945537 0.248546 BFGS: 8468 10:27:57 -737.946571 0.247470 BFGS: 8469 10:27:57 -736.304894 0.598858 BFGS: 8470 10:27:57 -736.316667 0.587961 BFGS: 8471 10:27:57 -737.942242 0.251691 BFGS: 8472 10:27:57 -737.943987 0.250078 BFGS: 8473 10:27:58 -736.312224 0.592114 BFGS: 8474 10:27:58 -737.945544 0.248542 BFGS: 8475 10:27:58 -737.946577 0.247466 BFGS: 8476 10:27:59 -736.304889 0.598853 BFGS: 8477 10:27:59 -736.316656 0.587966 BFGS: 8478 10:27:59 -737.942252 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8503 10:28:11 -737.946604 0.247451 BFGS: 8504 10:28:11 -736.304870 0.598833 BFGS: 8505 10:28:12 -736.316609 0.587987 BFGS: 8506 10:28:12 -737.942288 0.251671 BFGS: 8507 10:28:13 -737.944026 0.250059 BFGS: 8508 10:28:13 -736.312180 0.592118 BFGS: 8509 10:28:14 -737.945579 0.248524 BFGS: 8510 10:28:16 -737.946611 0.247447 BFGS: 8511 10:28:26 -736.304865 0.598828 BFGS: 8512 10:28:29 -736.316597 0.587992 BFGS: 8513 10:28:32 -737.942298 0.251667 BFGS: 8514 10:28:35 -737.944034 0.250055 BFGS: 8515 10:28:36 -736.312171 0.592119 BFGS: 8516 10:28:37 -737.945586 0.248520 BFGS: 8517 10:28:37 -737.946617 0.247443 BFGS: 8518 10:28:38 -736.304860 0.598823 BFGS: 8519 10:28:38 -736.316585 0.587997 BFGS: 8520 10:28:39 -737.942307 0.251663 BFGS: 8521 10:28:39 -737.944042 0.250051 BFGS: 8522 10:28:40 -736.312162 0.592121 BFGS: 8523 10:28:40 -737.945593 0.248516 BFGS: 8524 10:28:41 -737.946624 0.247439 BFGS: 8525 10:28:42 -736.304855 0.598819 BFGS: 8526 10:28:42 -736.316573 0.588003 BFGS: 8527 10:28:43 -737.942316 0.251659 BFGS: 8528 10:28:43 -737.944049 0.250047 BFGS: 8529 10:28:44 -736.312153 0.592122 BFGS: 8530 10:28:45 -737.945600 0.248512 BFGS: 8531 10:28:45 -737.946631 0.247435 BFGS: 8532 10:28:46 -736.304849 0.598814 BFGS: 8533 10:28:46 -736.316561 0.588008 BFGS: 8534 10:28:47 -737.942325 0.251654 BFGS: 8535 10:28:47 -737.944057 0.250043 BFGS: 8536 10:28:47 -736.312144 0.592123 BFGS: 8537 10:28:48 -737.945607 0.248508 BFGS: 8538 10:28:48 -737.946637 0.247431 BFGS: 8539 10:28:49 -736.304844 0.598810 BFGS: 8540 10:28:49 -736.316549 0.588014 BFGS: 8541 10:28:50 -737.942334 0.251650 BFGS: 8542 10:28:50 -737.944065 0.250039 BFGS: 8543 10:28:51 -736.312135 0.592125 BFGS: 8544 10:28:52 -737.945614 0.248504 BFGS: 8545 10:28:52 -737.946644 0.247427 BFGS: 8546 10:28:53 -736.304839 0.598806 BFGS: 8547 10:28:53 -736.316537 0.588019 BFGS: 8548 10:28:54 -737.942344 0.251646 BFGS: 8549 10:28:54 -737.944073 0.250035 BFGS: 8550 10:28:55 -736.312125 0.592126 BFGS: 8551 10:28:55 -737.945621 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-737.945671 0.248471 BFGS: 8601 10:29:13 -737.946698 0.247392 BFGS: 8602 10:29:14 -736.304792 0.598776 BFGS: 8603 10:29:14 -736.316439 0.588066 BFGS: 8604 10:29:14 -737.942417 0.251612 BFGS: 8605 10:29:14 -737.944136 0.250002 BFGS: 8606 10:29:15 -736.312049 0.592141 BFGS: 8607 10:29:15 -737.945678 0.248466 BFGS: 8608 10:29:15 -737.946705 0.247388 BFGS: 8609 10:29:16 -736.304785 0.598772 BFGS: 8610 10:29:16 -736.316426 0.588072 BFGS: 8611 10:29:16 -737.942426 0.251608 BFGS: 8612 10:29:17 -737.944144 0.249998 BFGS: 8613 10:29:18 -736.312039 0.592143 BFGS: 8614 10:29:18 -737.945685 0.248462 BFGS: 8615 10:29:18 -737.946712 0.247383 BFGS: 8616 10:29:19 -736.304779 0.598769 BFGS: 8617 10:29:19 -736.316413 0.588078 BFGS: 8618 10:29:19 -737.942436 0.251604 BFGS: 8619 10:29:20 -737.944152 0.249994 BFGS: 8620 10:29:20 -736.312029 0.592145 BFGS: 8621 10:29:20 -737.945692 0.248458 BFGS: 8622 10:29:21 -737.946719 0.247379 BFGS: 8623 10:29:21 -736.304773 0.598766 BFGS: 8624 10:29:21 -736.316401 0.588084 BFGS: 8625 10:29:22 -737.942445 0.251599 BFGS: 8626 10:29:22 -737.944160 0.249990 BFGS: 8627 10:29:22 -736.312019 0.592147 BFGS: 8628 10:29:23 -737.945699 0.248453 BFGS: 8629 10:29:23 -737.946726 0.247374 BFGS: 8630 10:29:24 -736.304766 0.598763 BFGS: 8631 10:29:24 -736.316388 0.588090 BFGS: 8632 10:29:24 -737.942454 0.251595 BFGS: 8633 10:29:25 -737.944168 0.249985 BFGS: 8634 10:29:25 -736.312009 0.592150 BFGS: 8635 10:29:25 -737.945706 0.248449 BFGS: 8636 10:29:26 -737.946733 0.247370 BFGS: 8637 10:29:27 -736.304760 0.598760 BFGS: 8638 10:29:28 -736.316376 0.588096 BFGS: 8639 10:29:28 -737.942463 0.251591 BFGS: 8640 10:29:29 -737.944176 0.249981 BFGS: 8641 10:29:30 -736.311999 0.592152 BFGS: 8642 10:29:30 -737.945714 0.248444 BFGS: 8643 10:29:30 -737.946739 0.247365 BFGS: 8644 10:29:30 -736.304753 0.598757 BFGS: 8645 10:29:31 -736.316363 0.588102 BFGS: 8646 10:29:32 -737.942472 0.251586 BFGS: 8647 10:29:33 -737.944184 0.249976 BFGS: 8648 10:29:33 -736.311988 0.592154 BFGS: 8649 10:29:34 -737.945721 0.248440 BFGS: 8650 10:29:34 -737.946746 0.247360 BFGS: 8651 10:29:35 -736.304746 0.598754 BFGS: 8652 10:29:35 -736.316350 0.588109 BFGS: 8653 10:29:37 -737.942482 0.251582 BFGS: 8654 10:29:37 -737.944192 0.249972 BFGS: 8655 10:29:38 -736.311978 0.592157 BFGS: 8656 10:29:39 -737.945728 0.248435 BFGS: 8657 10:29:40 -737.946753 0.247355 BFGS: 8658 10:29:40 -736.304739 0.598752 BFGS: 8659 10:29:40 -736.316337 0.588115 BFGS: 8660 10:29:40 -737.942491 0.251577 BFGS: 8661 10:29:41 -737.944200 0.249968 BFGS: 8662 10:29:41 -736.311968 0.592160 BFGS: 8663 10:29:42 -737.945735 0.248431 BFGS: 8664 10:29:42 -737.946760 0.247351 BFGS: 8665 10:29:42 -736.304733 0.598749 BFGS: 8666 10:29:42 -736.316324 0.588121 BFGS: 8667 10:29:42 -737.942500 0.251573 BFGS: 8668 10:29:43 -737.944208 0.249963 BFGS: 8669 10:29:43 -736.311957 0.592162 BFGS: 8670 10:29:43 -737.945743 0.248426 BFGS: 8671 10:29:43 -737.946767 0.247346 BFGS: 8672 10:29:44 -736.304726 0.598747 BFGS: 8673 10:29:44 -736.316311 0.588128 BFGS: 8674 10:29:44 -737.942509 0.251568 BFGS: 8675 10:29:44 -737.944216 0.249959 BFGS: 8676 10:29:45 -736.311947 0.592165 BFGS: 8677 10:29:45 -737.945750 0.248421 BFGS: 8678 10:29:45 -737.946774 0.247341 BFGS: 8679 10:29:45 -736.304718 0.598744 BFGS: 8680 10:29:46 -736.316298 0.588134 BFGS: 8681 10:29:46 -737.942518 0.251564 BFGS: 8682 10:29:47 -737.944224 0.249954 BFGS: 8683 10:29:47 -736.311937 0.592168 BFGS: 8684 10:29:47 -737.945757 0.248417 BFGS: 8685 10:29:48 -737.946781 0.247336 BFGS: 8686 10:29:48 -736.304711 0.598742 BFGS: 8687 10:29:48 -736.316285 0.588141 BFGS: 8688 10:29:49 -737.942527 0.251559 BFGS: 8689 10:29:49 -737.944232 0.249949 BFGS: 8690 10:29:50 -736.311926 0.592170 BFGS: 8691 10:29:50 -737.945764 0.248412 BFGS: 8692 10:29:50 -737.946788 0.247331 BFGS: 8693 10:29:51 -736.304704 0.598740 BFGS: 8694 10:29:51 -736.316272 0.588147 BFGS: 8695 10:29:51 -737.942537 0.251555 BFGS: 8696 10:29:52 -737.944240 0.249945 BFGS: 8697 10:29:52 -736.311915 0.592173 BFGS: 8698 10:29:53 -737.945772 0.248407 BFGS: 8699 10:29:53 -737.946795 0.247326 BFGS: 8700 10:29:53 -736.304697 0.598738 BFGS: 8701 10:29:54 -736.316259 0.588154 BFGS: 8702 10:29:54 -737.942546 0.251550 BFGS: 8703 10:29:55 -737.944248 0.249940 BFGS: 8704 10:29:55 -736.311905 0.592176 BFGS: 8705 10:29:55 -737.945779 0.248402 BFGS: 8706 10:29:56 -737.946802 0.247321 BFGS: 8707 10:29:57 -736.304689 0.598736 BFGS: 8708 10:29:57 -736.316246 0.588160 BFGS: 8709 10:29:58 -737.942555 0.251545 BFGS: 8710 10:29:58 -737.944256 0.249936 BFGS: 8711 10:29:59 -736.311894 0.592179 BFGS: 8712 10:30:00 -737.945786 0.248398 BFGS: 8713 10:30:01 -737.946809 0.247316 BFGS: 8714 10:30:02 -736.304682 0.598734 BFGS: 8715 10:30:02 -736.316233 0.588167 BFGS: 8716 10:30:03 -737.942564 0.251541 BFGS: 8717 10:30:03 -737.944264 0.249931 BFGS: 8718 10:30:03 -736.311883 0.592182 BFGS: 8719 10:30:04 -737.945794 0.248393 BFGS: 8720 10:30:04 -737.946816 0.247311 BFGS: 8721 10:30:04 -736.304674 0.598732 BFGS: 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-736.311840 0.592195 BFGS: 8747 10:30:41 -737.945823 0.248373 BFGS: 8748 10:30:42 -737.946845 0.247291 BFGS: 8749 10:30:43 -736.304643 0.598725 BFGS: 8750 10:30:43 -736.316167 0.588201 BFGS: 8751 10:30:44 -737.942610 0.251517 BFGS: 8752 10:30:44 -737.944304 0.249907 BFGS: 8753 10:30:45 -736.311829 0.592199 BFGS: 8754 10:30:45 -737.945830 0.248368 BFGS: 8755 10:30:46 -737.946852 0.247285 BFGS: 8756 10:30:49 -736.304635 0.598724 BFGS: 8757 10:30:50 -736.316153 0.588208 BFGS: 8758 10:30:51 -737.942619 0.251513 BFGS: 8759 10:30:51 -737.944312 0.249903 BFGS: 8760 10:30:52 -736.311817 0.592202 BFGS: 8761 10:30:52 -737.945838 0.248363 BFGS: 8762 10:30:52 -737.946859 0.247280 BFGS: 8763 10:30:52 -736.304627 0.598723 BFGS: 8764 10:30:53 -736.316140 0.588215 BFGS: 8765 10:30:53 -737.942628 0.251508 BFGS: 8766 10:30:54 -737.944320 0.249898 BFGS: 8767 10:30:54 -736.311806 0.592206 BFGS: 8768 10:30:55 -737.945845 0.248358 BFGS: 8769 10:30:56 -737.946866 0.247275 BFGS: 8770 10:30:56 -736.304619 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-736.304560 0.598716 BFGS: 8820 10:31:19 -736.316031 0.588271 BFGS: 8821 10:31:19 -737.942702 0.251469 BFGS: 8822 10:31:20 -737.944384 0.249858 BFGS: 8823 10:31:20 -736.311715 0.592236 BFGS: 8824 10:31:22 -737.945904 0.248316 BFGS: 8825 10:31:23 -737.946924 0.247231 BFGS: 8826 10:31:23 -736.304552 0.598715 BFGS: 8827 10:31:24 -736.316017 0.588279 BFGS: 8828 10:31:24 -737.942711 0.251464 BFGS: 8829 10:31:25 -737.944392 0.249853 BFGS: 8830 10:31:25 -736.311703 0.592240 BFGS: 8831 10:31:25 -737.945912 0.248311 BFGS: 8832 10:31:26 -737.946931 0.247225 BFGS: 8833 10:31:26 -736.304543 0.598715 BFGS: 8834 10:31:27 -736.316003 0.588286 BFGS: 8835 10:31:27 -737.942720 0.251459 BFGS: 8836 10:31:27 -737.944400 0.249848 BFGS: 8837 10:31:28 -736.311692 0.592244 BFGS: 8838 10:31:28 -737.945919 0.248306 BFGS: 8839 10:31:28 -737.946938 0.247220 BFGS: 8840 10:31:28 -736.304534 0.598714 BFGS: 8841 10:31:29 -736.315989 0.588293 BFGS: 8842 10:31:29 -737.942729 0.251454 BFGS: 8843 10:31:29 -737.944408 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-737.944465 0.249807 BFGS: 8893 10:31:49 -736.311596 0.592278 BFGS: 8894 10:31:49 -737.945979 0.248262 BFGS: 8895 10:31:50 -737.946996 0.247173 BFGS: 8896 10:31:50 -736.304460 0.598715 BFGS: 8897 10:31:50 -736.315877 0.588353 BFGS: 8898 10:31:51 -737.942802 0.251414 BFGS: 8899 10:31:52 -737.944473 0.249801 BFGS: 8900 10:31:52 -736.311584 0.592283 BFGS: 8901 10:31:53 -737.945987 0.248256 BFGS: 8902 10:31:53 -737.947004 0.247167 BFGS: 8903 10:31:53 -736.304451 0.598715 BFGS: 8904 10:31:54 -736.315863 0.588361 BFGS: 8905 10:31:55 -737.942811 0.251409 BFGS: 8906 10:31:55 -737.944481 0.249796 BFGS: 8907 10:31:56 -736.311572 0.592288 BFGS: 8908 10:31:56 -737.945994 0.248250 BFGS: 8909 10:31:57 -737.947011 0.247161 BFGS: 8910 10:31:57 -736.304441 0.598716 BFGS: 8911 10:31:58 -736.315848 0.588369 BFGS: 8912 10:31:58 -737.942820 0.251404 BFGS: 8913 10:31:58 -737.944489 0.249791 BFGS: 8914 10:31:59 -736.311560 0.592292 BFGS: 8915 10:31:59 -737.946002 0.248245 BFGS: 8916 10:32:00 -737.947019 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-737.947070 0.247112 BFGS: 8966 10:32:45 -736.304362 0.598723 BFGS: 8967 10:32:45 -736.315733 0.588432 BFGS: 8968 10:32:46 -737.942893 0.251363 BFGS: 8969 10:32:46 -737.944554 0.249747 BFGS: 8970 10:32:47 -736.311460 0.592332 BFGS: 8971 10:32:47 -737.946062 0.248198 BFGS: 8972 10:32:48 -737.947078 0.247106 BFGS: 8973 10:32:48 -736.304351 0.598724 BFGS: 8974 10:32:49 -736.315719 0.588440 BFGS: 8975 10:32:55 -737.942902 0.251357 BFGS: 8976 10:32:59 -737.944562 0.249742 BFGS: 8977 10:33:01 -736.311447 0.592337 BFGS: 8978 10:33:02 -737.946070 0.248192 BFGS: 8979 10:33:04 -737.947085 0.247100 BFGS: 8980 10:33:05 -736.304341 0.598725 BFGS: 8981 10:33:06 -736.315704 0.588448 BFGS: 8982 10:33:06 -737.942911 0.251352 BFGS: 8983 10:33:07 -737.944570 0.249736 BFGS: 8984 10:33:08 -736.311434 0.592342 BFGS: 8985 10:33:08 -737.946078 0.248187 BFGS: 8986 10:33:09 -737.947093 0.247094 BFGS: 8987 10:33:09 -736.304331 0.598726 BFGS: 8988 10:33:09 -736.315690 0.588456 BFGS: 8989 10:33:09 -737.942920 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-736.315269 0.588694 BFGS: 9185 10:34:23 -737.943171 0.251194 BFGS: 9186 10:34:24 -737.944806 0.249568 BFGS: 9187 10:34:24 -736.311046 0.592515 BFGS: 9188 10:34:24 -737.946301 0.248004 BFGS: 9189 10:34:24 -737.947312 0.246899 BFGS: 9190 10:34:24 -736.304000 0.598800 BFGS: 9191 10:34:24 -736.315254 0.588703 BFGS: 9192 10:34:25 -737.943180 0.251188 BFGS: 9193 10:34:25 -737.944815 0.249561 BFGS: 9194 10:34:26 -736.311032 0.592521 BFGS: 9195 10:34:27 -737.946309 0.247997 BFGS: 9196 10:34:27 -737.947320 0.246892 BFGS: 9197 10:34:28 -736.303988 0.598804 BFGS: 9198 10:34:29 -736.315238 0.588712 BFGS: 9199 10:34:29 -737.943188 0.251183 BFGS: 9200 10:34:29 -737.944823 0.249555 BFGS: 9201 10:34:30 -736.311017 0.592528 BFGS: 9202 10:34:30 -737.946316 0.247991 BFGS: 9203 10:34:31 -737.947328 0.246884 BFGS: 9204 10:34:32 -736.303975 0.598807 BFGS: 9205 10:34:32 -736.315223 0.588720 BFGS: 9206 10:34:33 -737.943197 0.251177 BFGS: 9207 10:34:33 -737.944831 0.249549 BFGS: 9208 10:34:33 -736.311003 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-736.310903 0.592583 BFGS: 9258 10:35:03 -737.946379 0.247937 BFGS: 9259 10:35:03 -737.947389 0.246827 BFGS: 9260 10:35:03 -736.303874 0.598840 BFGS: 9261 10:35:04 -736.315098 0.588793 BFGS: 9262 10:35:04 -737.943268 0.251132 BFGS: 9263 10:35:05 -737.944896 0.249500 BFGS: 9264 10:35:06 -736.310889 0.592590 BFGS: 9265 10:35:06 -737.946386 0.247930 BFGS: 9266 10:35:07 -737.947397 0.246819 BFGS: 9267 10:35:07 -736.303861 0.598844 BFGS: 9268 10:35:07 -736.315083 0.588802 BFGS: 9269 10:35:08 -737.943276 0.251126 BFGS: 9270 10:35:08 -737.944904 0.249494 BFGS: 9271 10:35:08 -736.310875 0.592597 BFGS: 9272 10:35:09 -737.946394 0.247923 BFGS: 9273 10:35:09 -737.947405 0.246812 BFGS: 9274 10:35:09 -736.303848 0.598848 BFGS: 9275 10:35:10 -736.315067 0.588811 BFGS: 9276 10:35:10 -737.943285 0.251120 BFGS: 9277 10:35:10 -737.944912 0.249487 BFGS: 9278 10:35:10 -736.310860 0.592604 BFGS: 9279 10:35:11 -737.946402 0.247916 BFGS: 9280 10:35:11 -737.947413 0.246804 BFGS: 9281 10:35:12 -736.303835 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-736.303742 0.598886 BFGS: 9331 10:35:32 -736.314941 0.588886 BFGS: 9332 10:35:32 -737.943355 0.251074 BFGS: 9333 10:35:33 -737.944977 0.249437 BFGS: 9334 10:35:33 -736.310743 0.592663 BFGS: 9335 10:35:33 -737.946464 0.247860 BFGS: 9336 10:35:34 -737.947475 0.246744 BFGS: 9337 10:35:34 -736.303728 0.598891 BFGS: 9338 10:35:34 -736.314925 0.588895 BFGS: 9339 10:35:35 -737.943364 0.251068 BFGS: 9340 10:35:35 -737.944985 0.249430 BFGS: 9341 10:35:35 -736.310728 0.592671 BFGS: 9342 10:35:35 -737.946472 0.247853 BFGS: 9343 10:35:36 -737.947482 0.246737 BFGS: 9344 10:35:36 -736.303715 0.598896 BFGS: 9345 10:35:37 -736.314909 0.588905 BFGS: 9346 10:35:37 -737.943372 0.251062 BFGS: 9347 10:35:37 -737.944993 0.249424 BFGS: 9348 10:35:38 -736.310713 0.592678 BFGS: 9349 10:35:38 -737.946480 0.247846 BFGS: 9350 10:35:38 -737.947490 0.246729 BFGS: 9351 10:35:39 -736.303701 0.598901 BFGS: 9352 10:35:39 -736.314893 0.588914 BFGS: 9353 10:35:39 -737.943381 0.251057 BFGS: 9354 10:35:40 -737.945001 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0.589328 BFGS: 9647 10:37:46 -737.943737 0.250808 BFGS: 9648 10:37:46 -737.945338 0.249139 BFGS: 9649 10:37:47 -736.310047 0.593037 BFGS: 9650 10:37:47 -737.946817 0.247528 BFGS: 9651 10:37:47 -737.947828 0.246385 BFGS: 9652 10:37:47 -736.303065 0.599179 BFGS: 9653 10:37:48 -736.314193 0.589338 BFGS: 9654 10:37:48 -737.943745 0.250802 BFGS: 9655 10:37:48 -737.945345 0.249133 BFGS: 9656 10:37:49 -736.310030 0.593046 BFGS: 9657 10:37:49 -737.946825 0.247520 BFGS: 9658 10:37:49 -737.947836 0.246376 BFGS: 9659 10:37:50 -736.303050 0.599187 BFGS: 9660 10:37:51 -736.314177 0.589348 BFGS: 9661 10:37:51 -737.943753 0.250796 BFGS: 9662 10:37:52 -737.945353 0.249126 BFGS: 9663 10:37:52 -736.310014 0.593055 BFGS: 9664 10:37:52 -737.946833 0.247513 BFGS: 9665 10:37:53 -737.947844 0.246368 BFGS: 9666 10:37:54 -736.303034 0.599195 BFGS: 9667 10:37:54 -736.314160 0.589359 BFGS: 9668 10:37:54 -737.943761 0.250790 BFGS: 9669 10:37:56 -737.945361 0.249119 BFGS: 9670 10:37:56 -736.309998 0.593064 BFGS: 9671 10:37:58 -737.946841 0.247505 BFGS: 9672 10:37:58 -737.947852 0.246359 BFGS: 9673 10:37:59 -736.303018 0.599203 BFGS: 9674 10:37:59 -736.314143 0.589369 BFGS: 9675 10:37:59 -737.943769 0.250784 BFGS: 9676 10:38:00 -737.945369 0.249112 BFGS: 9677 10:38:00 -736.309982 0.593074 BFGS: 9678 10:38:01 -737.946848 0.247497 BFGS: 9679 10:38:01 -737.947860 0.246351 BFGS: 9680 10:38:02 -736.303002 0.599211 BFGS: 9681 10:38:02 -736.314127 0.589379 BFGS: 9682 10:38:02 -737.943778 0.250778 BFGS: 9683 10:38:03 -737.945377 0.249105 BFGS: 9684 10:38:03 -736.309966 0.593083 BFGS: 9685 10:38:04 -737.946856 0.247489 BFGS: 9686 10:38:04 -737.947868 0.246342 BFGS: 9687 10:38:04 -736.302986 0.599219 BFGS: 9688 10:38:05 -736.314110 0.589389 BFGS: 9689 10:38:05 -737.943786 0.250772 BFGS: 9690 10:38:05 -737.945385 0.249098 BFGS: 9691 10:38:06 -736.309950 0.593092 BFGS: 9692 10:38:06 -737.946864 0.247482 BFGS: 9693 10:38:07 -737.947876 0.246334 BFGS: 9694 10:38:07 -736.302970 0.599227 BFGS: 9695 10:38:08 -736.314094 0.589400 BFGS: 9696 10:38:08 -737.943794 0.250766 BFGS: 9697 10:38:08 -737.945393 0.249092 BFGS: 9698 10:38:09 -736.309933 0.593101 BFGS: 9699 10:38:09 -737.946872 0.247474 BFGS: 9700 10:38:10 -737.947884 0.246326 BFGS: 9701 10:38:11 -736.302954 0.599235 BFGS: 9702 10:38:11 -736.314077 0.589410 BFGS: 9703 10:38:12 -737.943802 0.250760 BFGS: 9704 10:38:13 -737.945401 0.249085 BFGS: 9705 10:38:13 -736.309917 0.593110 BFGS: 9706 10:38:14 -737.946880 0.247466 BFGS: 9707 10:38:14 -737.947892 0.246317 BFGS: 9708 10:38:14 -736.302938 0.599243 BFGS: 9709 10:38:15 -736.314060 0.589420 BFGS: 9710 10:38:15 -737.943810 0.250754 BFGS: 9711 10:38:15 -737.945408 0.249078 BFGS: 9712 10:38:16 -736.309901 0.593120 BFGS: 9713 10:38:16 -737.946888 0.247458 BFGS: 9714 10:38:17 -737.947900 0.246309 BFGS: 9715 10:38:17 -736.302921 0.599251 BFGS: 9716 10:38:17 -736.314044 0.589431 BFGS: 9717 10:38:18 -737.943818 0.250748 BFGS: 9718 10:38:18 -737.945416 0.249071 BFGS: 9719 10:38:18 -736.309885 0.593129 BFGS: 9720 10:38:18 -737.946895 0.247451 BFGS: 9721 10:38:18 -737.947908 0.246300 BFGS: 9722 10:38:19 -736.302905 0.599259 BFGS: 9723 10:38:19 -736.314027 0.589441 BFGS: 9724 10:38:20 -737.943826 0.250742 BFGS: 9725 10:38:20 -737.945424 0.249064 BFGS: 9726 10:38:21 -736.309868 0.593138 BFGS: 9727 10:38:21 -737.946903 0.247443 BFGS: 9728 10:38:21 -737.947916 0.246292 BFGS: 9729 10:38:22 -736.302889 0.599267 BFGS: 9730 10:38:22 -736.314010 0.589451 BFGS: 9731 10:38:22 -737.943835 0.250736 BFGS: 9732 10:38:23 -737.945432 0.249057 BFGS: 9733 10:38:23 -736.309852 0.593148 BFGS: 9734 10:38:24 -737.946911 0.247435 BFGS: 9735 10:38:25 -737.947923 0.246283 BFGS: 9736 10:38:26 -736.302873 0.599276 BFGS: 9737 10:38:26 -736.313994 0.589462 BFGS: 9738 10:38:27 -737.943843 0.250730 BFGS: 9739 10:38:27 -737.945440 0.249050 BFGS: 9740 10:38:27 -736.309835 0.593157 BFGS: 9741 10:38:28 -737.946919 0.247427 BFGS: 9742 10:38:28 -737.947931 0.246274 BFGS: 9743 10:38:29 -736.302856 0.599284 BFGS: 9744 10:38:29 -736.313977 0.589472 BFGS: 9745 10:38:30 -737.943851 0.250724 BFGS: 9746 10:38:30 -737.945448 0.249044 BFGS: 9747 10:38:30 -736.309819 0.593167 BFGS: 9748 10:38:31 -737.946927 0.247419 BFGS: 9749 10:38:31 -737.947939 0.246266 BFGS: 9750 10:38:31 -736.302840 0.599292 BFGS: 9751 10:38:32 -736.313960 0.589483 BFGS: 9752 10:38:32 -737.943859 0.250718 BFGS: 9753 10:38:32 -737.945455 0.249037 BFGS: 9754 10:38:33 -736.309803 0.593176 BFGS: 9755 10:38:33 -737.946934 0.247411 BFGS: 9756 10:38:33 -737.947947 0.246257 BFGS: 9757 10:38:34 -736.302823 0.599301 BFGS: 9758 10:38:34 -736.313944 0.589493 BFGS: 9759 10:38:35 -737.943867 0.250712 BFGS: 9760 10:38:35 -737.945463 0.249030 BFGS: 9761 10:38:35 -736.309786 0.593186 BFGS: 9762 10:38:36 -737.946942 0.247404 BFGS: 9763 10:38:36 -737.947955 0.246249 BFGS: 9764 10:38:37 -736.302807 0.599309 BFGS: 9765 10:38:37 -736.313927 0.589503 BFGS: 9766 10:38:37 -737.943875 0.250706 BFGS: 9767 10:38:37 -737.945471 0.249023 BFGS: 9768 10:38:38 -736.309770 0.593195 BFGS: 9769 10:38:38 -737.946950 0.247396 BFGS: 9770 10:38:38 -736.317606 0.586158 BFGS: 9771 10:38:39 -737.947227 0.247072 BFGS: 9772 10:38:39 -737.947426 0.246839 BFGS: 9773 10:38:39 -736.304364 0.598104 BFGS: 9774 10:38:40 -736.315355 0.588249 BFGS: 9775 10:38:40 -737.943313 0.251405 BFGS: 9776 10:38:40 -737.944950 0.249647 BFGS: 9777 10:38:41 -736.311168 0.592024 BFGS: 9778 10:38:41 -737.946468 0.247952 BFGS: 9779 10:38:41 -737.947503 0.246756 BFGS: 9780 10:38:41 -736.304153 0.598242 BFGS: 9781 10:38:42 -736.315155 0.588416 BFGS: 9782 10:38:42 -737.943395 0.251299 BFGS: 9783 10:38:42 -737.945027 0.249553 BFGS: 9784 10:38:43 -736.310975 0.592176 BFGS: 9785 10:38:43 -737.946539 0.247870 BFGS: 9786 10:38:43 -737.947571 0.246681 BFGS: 9787 10:38:43 -736.303967 0.598376 BFGS: 9788 10:38:43 -736.314979 0.588565 BFGS: 9789 10:38:44 -737.943469 0.251206 BFGS: 9790 10:38:44 -737.945095 0.249472 BFGS: 9791 10:38:45 -736.310804 0.592310 BFGS: 9792 10:38:45 -737.946602 0.247799 BFGS: 9793 10:38:45 -737.947632 0.246616 BFGS: 9794 10:38:46 -736.303802 0.598491 BFGS: 9795 10:38:47 -736.314823 0.588694 BFGS: 9796 10:38:47 -737.943534 0.251128 BFGS: 9797 10:38:48 -737.945155 0.249402 BFGS: 9798 10:38:49 -736.310652 0.592426 BFGS: 9799 10:38:50 -737.946658 0.247737 BFGS: 9800 10:38:51 -737.947685 0.246558 BFGS: 9801 10:38:52 -736.303656 0.598592 BFGS: 9802 10:38:53 -736.314685 0.588808 BFGS: 9803 10:38:54 -737.943591 0.251061 BFGS: 9804 10:38:54 -737.945208 0.249342 BFGS: 9805 10:38:54 -736.310517 0.592529 BFGS: 9806 10:38:55 -737.946708 0.247682 BFGS: 9807 10:38:55 -737.947733 0.246506 BFGS: 9808 10:38:56 -736.303525 0.598685 BFGS: 9809 10:38:56 -736.314562 0.588910 BFGS: 9810 10:38:56 -737.943642 0.251003 BFGS: 9811 10:38:57 -737.945256 0.249289 BFGS: 9812 10:38:57 -736.310397 0.592623 BFGS: 9813 10:38:57 -737.946753 0.247632 BFGS: 9814 10:38:57 -737.947776 0.246459 BFGS: 9815 10:38:57 -736.303408 0.598770 BFGS: 9816 10:38:57 -736.314452 0.589001 BFGS: 9817 10:38:57 -737.943688 0.250952 BFGS: 9818 10:38:58 -737.945298 0.249242 BFGS: 9819 10:38:58 -736.310290 0.592708 BFGS: 9820 10:38:59 -737.946792 0.247588 BFGS: 9821 10:39:00 -737.947815 0.246416 BFGS: 9822 10:39:00 -736.303303 0.598848 BFGS: 9823 10:39:00 -736.314353 0.589083 BFGS: 9824 10:39:01 -737.943729 0.250908 BFGS: 9825 10:39:01 -737.945337 0.249200 BFGS: 9826 10:39:02 -736.310193 0.592784 BFGS: 9827 10:39:03 -737.946828 0.247548 BFGS: 9828 10:39:03 -737.947849 0.246378 BFGS: 9829 10:39:04 -736.303209 0.598919 BFGS: 9830 10:39:04 -736.314265 0.589156 BFGS: 9831 10:39:04 -737.943765 0.250868 BFGS: 9832 10:39:05 -737.945371 0.249162 BFGS: 9833 10:39:05 -736.310106 0.592854 BFGS: 9834 10:39:06 -737.946860 0.247512 BFGS: 9835 10:39:06 -737.947880 0.246342 BFGS: 9836 10:39:07 -736.303124 0.598983 BFGS: 9837 10:39:08 -736.314185 0.589222 BFGS: 9838 10:39:09 -737.943798 0.250833 BFGS: 9839 10:39:09 -737.945402 0.249128 BFGS: 9840 10:39:10 -736.310028 0.592916 BFGS: 9841 10:39:10 -737.946890 0.247480 BFGS: 9842 10:39:11 -737.947909 0.246310 BFGS: 9843 10:39:11 -736.303048 0.599041 BFGS: 9844 10:39:11 -736.314113 0.589282 BFGS: 9845 10:39:11 -737.943828 0.250802 BFGS: 9846 10:39:13 -737.945430 0.249098 BFGS: 9847 10:39:13 -736.309958 0.592972 BFGS: 9848 10:39:14 -737.946916 0.247450 BFGS: 9849 10:39:14 -737.947935 0.246280 BFGS: 9850 10:39:15 -736.302979 0.599093 BFGS: 9851 10:39:15 -736.314048 0.589335 BFGS: 9852 10:39:16 -737.943855 0.250773 BFGS: 9853 10:39:16 -737.945455 0.249070 BFGS: 9854 10:39:17 -736.309894 0.593023 BFGS: 9855 10:39:17 -737.946940 0.247423 BFGS: 9856 10:39:17 -737.947958 0.246254 BFGS: 9857 10:39:17 -736.302916 0.599140 BFGS: 9858 10:39:18 -736.313989 0.589383 BFGS: 9859 10:39:18 -737.943879 0.250748 BFGS: 9860 10:39:18 -737.945478 0.249045 BFGS: 9861 10:39:19 -736.309836 0.593068 BFGS: 9862 10:39:19 -737.946962 0.247398 BFGS: 9863 10:39:20 -736.317639 0.586069 BFGS: 9864 10:39:21 -737.947241 0.247070 BFGS: 9865 10:39:21 -737.947442 0.246834 BFGS: 9866 10:39:22 -736.304427 0.597974 BFGS: 9867 10:39:23 -736.315378 0.588165 BFGS: 9868 10:39:23 -737.943331 0.251434 BFGS: 9869 10:39:24 -737.944970 0.249658 BFGS: 9870 10:39:25 -736.311197 0.591931 BFGS: 9871 10:39:26 -737.946491 0.247945 BFGS: 9872 10:39:26 -737.947529 0.246737 BFGS: 9873 10:39:26 -736.304186 0.598137 BFGS: 9874 10:39:27 -736.315151 0.588357 BFGS: 9875 10:39:27 -737.943425 0.251314 BFGS: 9876 10:39:27 -737.945057 0.249551 BFGS: 9877 10:39:27 -736.310976 0.592107 BFGS: 9878 10:39:28 -737.946572 0.247851 BFGS: 9879 10:39:28 -737.947607 0.246650 BFGS: 9880 10:39:28 -736.303973 0.598294 BFGS: 9881 10:39:28 -736.314950 0.588528 BFGS: 9882 10:39:29 -737.943508 0.251209 BFGS: 9883 10:39:29 -737.945134 0.249459 BFGS: 9884 10:39:30 -736.310781 0.592262 BFGS: 9885 10:39:30 -737.946644 0.247769 BFGS: 9886 10:39:31 -737.947676 0.246575 BFGS: 9887 10:39:31 -736.303784 0.598429 BFGS: 9888 10:39:31 -736.314772 0.588677 BFGS: 9889 10:39:32 -737.943582 0.251119 BFGS: 9890 10:39:32 -737.945202 0.249378 BFGS: 9891 10:39:32 -736.310607 0.592397 BFGS: 9892 10:39:34 -737.946708 0.247697 BFGS: 9893 10:39:34 -737.947737 0.246508 BFGS: 9894 10:39:34 -736.303616 0.598549 BFGS: 9895 10:39:34 -736.314614 0.588809 BFGS: 9896 10:39:35 -737.943647 0.251042 BFGS: 9897 10:39:36 -737.945263 0.249308 BFGS: 9898 10:39:36 -736.310452 0.592518 BFGS: 9899 10:39:36 -737.946764 0.247633 BFGS: 9900 10:39:36 -737.947792 0.246447 BFGS: 9901 10:39:36 -736.303466 0.598658 BFGS: 9902 10:39:37 -736.314472 0.588927 BFGS: 9903 10:39:37 -737.943705 0.250975 BFGS: 9904 10:39:37 -737.945317 0.249247 BFGS: 9905 10:39:37 -736.310314 0.592627 BFGS: 9906 10:39:37 -737.946815 0.247576 BFGS: 9907 10:39:37 -737.947841 0.246393 BFGS: 9908 10:39:38 -736.303331 0.598758 BFGS: 9909 10:39:38 -736.314346 0.589032 BFGS: 9910 10:39:38 -737.943757 0.250917 BFGS: 9911 10:39:38 -737.945366 0.249193 BFGS: 9912 10:39:38 -736.310191 0.592726 BFGS: 9913 10:39:39 -737.946861 0.247525 BFGS: 9914 10:39:39 -737.947885 0.246343 BFGS: 9915 10:39:39 -736.303210 0.598849 BFGS: 9916 10:39:39 -736.314233 0.589127 BFGS: 9917 10:39:40 -737.943803 0.250865 BFGS: 9918 10:39:40 -737.945409 0.249144 BFGS: 9919 10:39:41 -736.310080 0.592815 BFGS: 9920 10:39:41 -737.946901 0.247479 BFGS: 9921 10:39:42 -737.947924 0.246299 BFGS: 9922 10:39:42 -736.303102 0.598932 BFGS: 9923 10:39:43 -736.314132 0.589212 BFGS: 9924 10:39:43 -737.943845 0.250819 BFGS: 9925 10:39:43 -737.945448 0.249101 BFGS: 9926 10:39:43 -736.309980 0.592895 BFGS: 9927 10:39:44 -737.946938 0.247438 BFGS: 9928 10:39:44 -737.947960 0.246258 BFGS: 9929 10:39:44 -736.303004 0.599006 BFGS: 9930 10:39:45 -736.314041 0.589288 BFGS: 9931 10:39:45 -737.943882 0.250778 BFGS: 9932 10:39:45 -737.945483 0.249061 BFGS: 9933 10:39:46 -736.309891 0.592967 BFGS: 9934 10:39:46 -737.946971 0.247400 BFGS: 9935 10:39:46 -737.947992 0.246221 BFGS: 9936 10:39:47 -736.302917 0.599074 BFGS: 9937 10:39:47 -736.313959 0.589356 BFGS: 9938 10:39:49 -737.943916 0.250742 BFGS: 9939 10:39:49 -737.945515 0.249026 BFGS: 9940 10:39:50 -736.309810 0.593032 BFGS: 9941 10:39:51 -737.947001 0.247366 BFGS: 9942 10:39:51 -736.317592 0.586062 BFGS: 9943 10:39:52 -737.947281 0.247035 BFGS: 9944 10:39:53 -737.947482 0.246797 BFGS: 9945 10:39:53 -736.304400 0.597931 BFGS: 9946 10:39:53 -736.315326 0.588158 BFGS: 9947 10:39:54 -737.943375 0.251422 BFGS: 9948 10:39:54 -737.945012 0.249635 BFGS: 9949 10:39:55 -736.311150 0.591915 BFGS: 9950 10:39:56 -737.946535 0.247910 BFGS: 9951 10:39:56 -737.947575 0.246693 BFGS: 9952 10:39:57 -736.304145 0.598106 BFGS: 9953 10:39:57 -736.315085 0.588364 BFGS: 9954 10:39:57 -737.943475 0.251295 BFGS: 9955 10:39:57 -737.945105 0.249521 BFGS: 9956 10:39:58 -736.310915 0.592103 BFGS: 9957 10:39:58 -737.946621 0.247809 BFGS: 9958 10:39:58 -737.947658 0.246600 BFGS: 9959 10:39:58 -736.303917 0.598275 BFGS: 9960 10:39:59 -736.314871 0.588546 BFGS: 9961 10:39:59 -737.943563 0.251183 BFGS: 9962 10:39:59 -737.945187 0.249422 BFGS: 9963 10:39:59 -736.310707 0.592269 BFGS: 9964 10:39:59 -737.946698 0.247721 BFGS: 9965 10:40:00 -737.947731 0.246518 BFGS: 9966 10:40:00 -736.303716 0.598421 BFGS: 9967 10:40:00 -736.314681 0.588706 BFGS: 9968 10:40:00 -737.943641 0.251087 BFGS: 9969 10:40:00 -737.945260 0.249336 BFGS: 9970 10:40:01 -736.310521 0.592414 BFGS: 9971 10:40:01 -737.946766 0.247643 BFGS: 9972 10:40:01 -737.947797 0.246446 BFGS: 9973 10:40:01 -736.303535 0.598550 BFGS: 9974 10:40:02 -736.314512 0.588847 BFGS: 9975 10:40:02 -737.943711 0.251005 BFGS: 9976 10:40:02 -737.945325 0.249261 BFGS: 9977 10:40:02 -736.310356 0.592544 BFGS: 9978 10:40:02 -737.946826 0.247575 BFGS: 9979 10:40:03 -737.947855 0.246381 BFGS: 9980 10:40:03 -736.303374 0.598669 BFGS: 9981 10:40:03 -736.314360 0.588973 BFGS: 9982 10:40:03 -737.943773 0.250933 BFGS: 9983 10:40:04 -737.945383 0.249195 BFGS: 9984 10:40:04 -736.310208 0.592662 BFGS: 9985 10:40:04 -737.946881 0.247514 BFGS: 9986 10:40:05 -737.947907 0.246322 BFGS: 9987 10:40:05 -736.303230 0.598777 BFGS: 9988 10:40:06 -736.314225 0.589087 BFGS: 9989 10:40:06 -737.943828 0.250870 BFGS: 9990 10:40:06 -737.945434 0.249136 BFGS: 9991 10:40:07 -736.310075 0.592768 BFGS: 9992 10:40:07 -737.946929 0.247458 BFGS: 9993 10:40:07 -737.947954 0.246269 BFGS: 9994 10:40:07 -736.303100 0.598876 BFGS: 9995 10:40:08 -736.314104 0.589189 BFGS: 9996 10:40:08 -737.943877 0.250814 BFGS: 9997 10:40:08 -737.945480 0.249084 BFGS: 9998 10:40:08 -736.309956 0.592864 BFGS: 9999 10:40:08 -737.946973 0.247409 BFGS: 10000 10:40:09 -737.947996 0.246221 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.21294791683914746 eV/Angstrom Maximum stress component: 0.0016369500288579142 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 = [[1.21198418e-17 5.01792781e-01 2.50000000e-01] [5.00000000e-01 1.79278093e-03 2.50000000e-01] [0.00000000e+00 4.98207219e-01 7.50000000e-01] [5.00000000e-01 9.98207219e-01 7.50000000e-01] [3.14932677e-01 9.57471073e-01 6.09937780e-01] [6.85067323e-01 9.57471073e-01 8.90062220e-01] [8.14932677e-01 4.57471073e-01 6.09937780e-01] [1.85067323e-01 4.57471073e-01 8.90062220e-01] [6.85067323e-01 4.25289272e-02 3.90062220e-01] [3.14932677e-01 4.25289272e-02 1.09937780e-01] [1.85067323e-01 5.42528927e-01 3.90062220e-01] [8.14932677e-01 5.42528927e-01 1.09937780e-01] [1.47519579e-01 6.58602392e-02 7.92854442e-01] [8.52480421e-01 6.58602392e-02 7.07145558e-01] [6.47519579e-01 5.65860239e-01 7.92854442e-01] [3.52480421e-01 5.65860239e-01 7.07145558e-01] [8.52480421e-01 9.34139761e-01 2.07145558e-01] [1.47519579e-01 9.34139761e-01 2.92854442e-01] [3.52480421e-01 4.34139761e-01 2.07145558e-01] [6.47519579e-01 4.34139761e-01 2.92854442e-01] [1.48020128e-01 9.32906601e-01 6.66195194e-01] [8.51979872e-01 9.32906601e-01 8.33804806e-01] [6.48020128e-01 4.32906601e-01 6.66195194e-01] [3.51979872e-01 4.32906601e-01 8.33804806e-01] [8.51979872e-01 6.70933993e-02 3.33804806e-01] [1.48020128e-01 6.70933993e-02 1.66195194e-01] [3.51979872e-01 5.67093399e-01 3.33804806e-01] [6.48020128e-01 5.67093399e-01 1.66195194e-01] [9.20352163e-02 9.58048357e-01 4.89427252e-01] [9.07964784e-01 9.58048357e-01 1.05727481e-02] [5.92035216e-01 4.58048357e-01 4.89427252e-01] [4.07964784e-01 4.58048357e-01 1.05727481e-02] [9.07964784e-01 4.19516434e-02 5.10572748e-01] [9.20352163e-02 4.19516434e-02 9.89427252e-01] [4.07964784e-01 5.41951643e-01 5.10572748e-01] [5.92035216e-01 5.41951643e-01 9.89427252e-01] [6.06988014e-01 3.17721519e-01 7.97030563e-01] [3.93011986e-01 3.17721519e-01 7.02969437e-01] [1.06988014e-01 8.17721519e-01 7.97030563e-01] [8.93011986e-01 8.17721519e-01 7.02969437e-01] [3.93011986e-01 6.82278481e-01 2.02969437e-01] [6.06988014e-01 6.82278481e-01 2.97030563e-01] [8.93011986e-01 1.82278481e-01 2.02969437e-01] [1.06988014e-01 1.82278481e-01 2.97030563e-01] [5.39822169e-01 2.46443377e-01 6.80218924e-01] [4.60177831e-01 2.46443377e-01 8.19781076e-01] [3.98221686e-02 7.46443377e-01 6.80218924e-01] [9.60177831e-01 7.46443377e-01 8.19781076e-01] [4.60177831e-01 7.53556623e-01 3.19781076e-01] [5.39822169e-01 7.53556623e-01 1.80218924e-01] [9.60177831e-01 2.53556623e-01 3.19781076e-01] [3.98221686e-02 2.53556623e-01 1.80218924e-01] [7.71525198e-01 1.28279604e-01 6.46602646e-01] [2.28474802e-01 1.28279604e-01 8.53397354e-01] [2.71525198e-01 6.28279604e-01 6.46602646e-01] [7.28474802e-01 6.28279604e-01 8.53397354e-01] [2.28474802e-01 8.71720396e-01 3.53397354e-01] [7.71525198e-01 8.71720396e-01 1.46602646e-01] [7.28474802e-01 3.71720396e-01 3.53397354e-01] [2.71525198e-01 3.71720396e-01 1.46602646e-01] [2.56038225e-01 7.70137969e-01 7.49074071e-01] [7.43961775e-01 7.70137969e-01 7.50925929e-01] [7.56038225e-01 2.70137969e-01 7.49074071e-01] [2.43961775e-01 2.70137969e-01 7.50925929e-01] [7.43961775e-01 2.29862031e-01 2.50925929e-01] [2.56038225e-01 2.29862031e-01 2.49074071e-01] [2.43961775e-01 7.29862031e-01 2.50925929e-01] [7.56038225e-01 7.29862031e-01 2.49074071e-01] [6.75165774e-01 2.25404337e-01 8.67417923e-01] [3.24834226e-01 2.25404337e-01 6.32582077e-01] [1.75165774e-01 7.25404337e-01 8.67417923e-01] [8.24834226e-01 7.25404337e-01 6.32582077e-01] [3.24834226e-01 7.74595663e-01 1.32582077e-01] [6.75165774e-01 7.74595663e-01 3.67417923e-01] [8.24834226e-01 2.74595663e-01 1.32582077e-01] [1.75165774e-01 2.74595663e-01 3.67417923e-01] [6.90111579e-01 8.76106121e-02 7.60512321e-01] [3.09888421e-01 8.76106121e-02 7.39487679e-01] [1.90111579e-01 5.87610612e-01 7.60512321e-01] [8.09888421e-01 5.87610612e-01 7.39487679e-01] [3.09888421e-01 9.12389388e-01 2.39487679e-01] [6.90111579e-01 9.12389388e-01 2.60512321e-01] [8.09888421e-01 4.12389388e-01 2.39487679e-01] [1.90111579e-01 4.12389388e-01 2.60512321e-01] [5.51020129e-01 9.63361112e-02 6.00327707e-01] [4.48979871e-01 9.63361112e-02 8.99672293e-01] [5.10201292e-02 5.96336111e-01 6.00327707e-01] [9.48979871e-01 5.96336111e-01 8.99672293e-01] [4.48979871e-01 9.03663889e-01 3.99672293e-01] [5.51020129e-01 9.03663889e-01 1.00327707e-01] [9.48979871e-01 4.03663889e-01 3.99672293e-01] [5.10201292e-02 4.03663889e-01 1.00327707e-01] [2.34194539e-01 8.81232782e-01 5.91265632e-01] [7.65805461e-01 8.81232782e-01 9.08734368e-01] [7.34194539e-01 3.81232782e-01 5.91265632e-01] [2.65805461e-01 3.81232782e-01 9.08734368e-01] [7.65805461e-01 1.18767218e-01 4.08734368e-01] [2.34194539e-01 1.18767218e-01 9.12656321e-02] [2.65805461e-01 6.18767218e-01 4.08734368e-01] [7.34194539e-01 6.18767218e-01 9.12656321e-02] [5.37968469e-01 7.41513848e-01 8.07969729e-01] [4.62031531e-01 7.41513848e-01 6.92030271e-01] [3.79684688e-02 2.41513848e-01 8.07969729e-01] [9.62031531e-01 2.41513848e-01 6.92030271e-01] [4.62031531e-01 2.58486152e-01 1.92030271e-01] [5.37968469e-01 2.58486152e-01 3.07969729e-01] [9.62031531e-01 7.58486152e-01 1.92030271e-01] [3.79684688e-02 7.58486152e-01 3.07969729e-01] [4.75120253e-01 6.53468348e-01 4.97691906e-01] [5.24879747e-01 6.53468348e-01 2.30809369e-03] [9.75120253e-01 1.53468348e-01 4.97691906e-01] [2.48797473e-02 1.53468348e-01 2.30809369e-03] [5.24879747e-01 3.46531652e-01 5.02308094e-01] [4.75120253e-01 3.46531652e-01 9.97691906e-01] [2.48797473e-02 8.46531652e-01 5.02308094e-01] [9.75120253e-01 8.46531652e-01 9.97691906e-01] [6.06303568e-01 6.75675999e-01 6.71143318e-01] [3.93696432e-01 6.75675999e-01 8.28856682e-01] [1.06303568e-01 1.75675999e-01 6.71143318e-01] [8.93696432e-01 1.75675999e-01 8.28856682e-01] [3.93696432e-01 3.24324001e-01 3.28856682e-01] [6.06303568e-01 3.24324001e-01 1.71143318e-01] [8.93696432e-01 8.24324001e-01 3.28856682e-01] [1.06303568e-01 8.24324001e-01 1.71143318e-01] [5.66038490e-01 6.10514815e-01 4.87960570e-01] [4.33961510e-01 6.10514815e-01 1.20394298e-02] [6.60384902e-02 1.10514815e-01 4.87960570e-01] [9.33961510e-01 1.10514815e-01 1.20394298e-02] [4.33961510e-01 3.89485185e-01 5.12039430e-01] [5.66038490e-01 3.89485185e-01 9.87960570e-01] [9.33961510e-01 8.89485185e-01 5.12039430e-01] [6.60384902e-02 8.89485185e-01 9.87960570e-01] [4.47617547e-01 8.92010734e-01 6.39569899e-01] [5.52382453e-01 8.92010734e-01 8.60430101e-01] [9.47617547e-01 3.92010734e-01 6.39569899e-01] [5.23824530e-02 3.92010734e-01 8.60430101e-01] [5.52382453e-01 1.07989266e-01 3.60430101e-01] [4.47617547e-01 1.07989266e-01 1.39569899e-01] [5.23824530e-02 6.07989266e-01 3.60430101e-01] [9.47617547e-01 6.07989266e-01 1.39569899e-01] [6.73533862e-01 7.78638958e-01 6.06439763e-01] [3.26466138e-01 7.78638958e-01 8.93560237e-01] [1.73533862e-01 2.78638958e-01 6.06439763e-01] [8.26466138e-01 2.78638958e-01 8.93560237e-01] [3.26466138e-01 2.21361042e-01 3.93560237e-01] [6.73533862e-01 2.21361042e-01 1.06439763e-01] [8.26466138e-01 7.21361042e-01 3.93560237e-01] [1.73533862e-01 7.21361042e-01 1.06439763e-01] [6.32782661e-01 8.99641050e-01 7.23425902e-01] [3.67217339e-01 8.99641050e-01 7.76574098e-01] [1.32782661e-01 3.99641050e-01 7.23425902e-01] [8.67217339e-01 3.99641050e-01 7.76574098e-01] [3.67217339e-01 1.00358950e-01 2.76574098e-01] [6.32782661e-01 1.00358950e-01 2.23425902e-01] [8.67217339e-01 6.00358950e-01 2.76574098e-01] [1.32782661e-01 6.00358950e-01 2.23425902e-01] [6.35940921e-01 3.31833058e-02 5.99313603e-01] [3.64059079e-01 3.31833058e-02 9.00686397e-01] [1.35940921e-01 5.33183306e-01 5.99313603e-01] [8.64059079e-01 5.33183306e-01 9.00686397e-01] [3.64059079e-01 9.66816694e-01 4.00686397e-01] [6.35940921e-01 9.66816694e-01 9.93136028e-02] [8.64059079e-01 4.66816694e-01 4.00686397e-01] [1.35940921e-01 4.66816694e-01 9.93136028e-02]] cellpar = Cell([[25.281361658857996, -3.75481706213623e-18, -0.0072255193874371714], [-2.1817220937964535e-18, 15.017567184607195, -1.1202461495551302e-17], [0.738460332018547, -7.42996787553305e-18, 9.903793166822062]]) forces = [[-5.54854999e-23 3.81926381e-04 -2.84900711e-22] [-5.54854999e-23 3.81926381e-04 -2.84900711e-22] [ 5.54854999e-23 -3.81926381e-04 2.84900711e-22] [ 5.54854999e-23 -3.81926381e-04 2.84900711e-22] [ 2.59697711e-03 -1.32554474e-02 -9.91806131e-03] [-2.59697711e-03 -1.32554474e-02 9.91806131e-03] [ 2.59697711e-03 -1.32554474e-02 -9.91806131e-03] [-2.59697711e-03 -1.32554474e-02 9.91806131e-03] [-2.59697711e-03 1.32554474e-02 9.91806131e-03] [ 2.59697711e-03 1.32554474e-02 -9.91806131e-03] [-2.59697711e-03 1.32554474e-02 9.91806131e-03] [ 2.59697711e-03 1.32554474e-02 -9.91806131e-03] [-9.45224798e-04 -7.13127366e-04 -6.52364201e-04] [ 9.45224798e-04 -7.13127366e-04 6.52364201e-04] [-9.45224798e-04 -7.13127366e-04 -6.52364201e-04] [ 9.45224798e-04 -7.13127366e-04 6.52364201e-04] [ 9.45224798e-04 7.13127366e-04 6.52364201e-04] [-9.45224798e-04 7.13127366e-04 -6.52364201e-04] [ 9.45224798e-04 7.13127366e-04 6.52364201e-04] [-9.45224798e-04 7.13127366e-04 -6.52364201e-04] [-4.15666868e-04 -1.12657553e-03 4.64294003e-04] [ 4.15666868e-04 -1.12657553e-03 -4.64294003e-04] [-4.15666868e-04 -1.12657553e-03 4.64294003e-04] [ 4.15666868e-04 -1.12657553e-03 -4.64294003e-04] [ 4.15666868e-04 1.12657553e-03 -4.64294003e-04] [-4.15666868e-04 1.12657553e-03 4.64294003e-04] [ 4.15666868e-04 1.12657553e-03 -4.64294003e-04] [-4.15666868e-04 1.12657553e-03 4.64294003e-04] [ 4.38131363e-04 9.17997037e-04 -3.92934956e-04] [-4.38131363e-04 9.17997037e-04 3.92934956e-04] [ 4.38131363e-04 9.17997037e-04 -3.92934956e-04] [-4.38131363e-04 9.17997037e-04 3.92934956e-04] [-4.38131363e-04 -9.17997037e-04 3.92934956e-04] [ 4.38131363e-04 -9.17997037e-04 -3.92934956e-04] [-4.38131363e-04 -9.17997037e-04 3.92934956e-04] [ 4.38131363e-04 -9.17997037e-04 -3.92934956e-04] [-7.08960671e-04 -3.48169686e-04 7.38305551e-04] [ 7.08960671e-04 -3.48169686e-04 -7.38305551e-04] [-7.08960671e-04 -3.48169686e-04 7.38305551e-04] [ 7.08960671e-04 -3.48169686e-04 -7.38305551e-04] [ 7.08960671e-04 3.48169686e-04 -7.38305551e-04] [-7.08960671e-04 3.48169686e-04 7.38305551e-04] [ 7.08960671e-04 3.48169686e-04 -7.38305551e-04] [-7.08960671e-04 3.48169686e-04 7.38305551e-04] [-1.84226329e-04 9.46701524e-04 -6.35508215e-05] [ 1.84226329e-04 9.46701524e-04 6.35508215e-05] [-1.84226329e-04 9.46701524e-04 -6.35508215e-05] [ 1.84226329e-04 9.46701524e-04 6.35508215e-05] [ 1.84226329e-04 -9.46701524e-04 6.35508215e-05] [-1.84226329e-04 -9.46701524e-04 -6.35508215e-05] [ 1.84226329e-04 -9.46701524e-04 6.35508215e-05] [-1.84226329e-04 -9.46701524e-04 -6.35508215e-05] [ 1.63052401e-02 -4.19219007e-03 -2.02036060e-02] [-1.63052401e-02 -4.19219007e-03 2.02036060e-02] [ 1.63052401e-02 -4.19219007e-03 -2.02036060e-02] [-1.63052401e-02 -4.19219007e-03 2.02036060e-02] [-1.63052401e-02 4.19219007e-03 2.02036060e-02] [ 1.63052401e-02 4.19219007e-03 -2.02036060e-02] [-1.63052401e-02 4.19219007e-03 2.02036060e-02] [ 1.63052401e-02 4.19219007e-03 -2.02036060e-02] [-1.29140838e-01 -2.12947917e-01 8.09712905e-03] [ 1.29140838e-01 -2.12947917e-01 -8.09712905e-03] [-1.29140838e-01 -2.12947917e-01 8.09712905e-03] [ 1.29140838e-01 -2.12947917e-01 -8.09712905e-03] [ 1.29140838e-01 2.12947917e-01 -8.09712905e-03] [-1.29140838e-01 2.12947917e-01 8.09712905e-03] [ 1.29140838e-01 2.12947917e-01 -8.09712905e-03] [-1.29140838e-01 2.12947917e-01 8.09712905e-03] [-9.93625022e-03 1.66904550e-02 1.26683378e-02] [ 9.93625022e-03 1.66904550e-02 -1.26683378e-02] [-9.93625022e-03 1.66904550e-02 1.26683378e-02] [ 9.93625022e-03 1.66904550e-02 -1.26683378e-02] [ 9.93625022e-03 -1.66904550e-02 -1.26683378e-02] [-9.93625022e-03 -1.66904550e-02 1.26683378e-02] [ 9.93625022e-03 -1.66904550e-02 -1.26683378e-02] [-9.93625022e-03 -1.66904550e-02 1.26683378e-02] [ 6.54758482e-02 9.96688061e-02 -4.45411933e-03] [-6.54758482e-02 9.96688061e-02 4.45411933e-03] [ 6.54758482e-02 9.96688061e-02 -4.45411933e-03] [-6.54758482e-02 9.96688061e-02 4.45411933e-03] [-6.54758482e-02 -9.96688061e-02 4.45411933e-03] [ 6.54758482e-02 -9.96688061e-02 -4.45411933e-03] [-6.54758482e-02 -9.96688061e-02 4.45411933e-03] [ 6.54758482e-02 -9.96688061e-02 -4.45411933e-03] [-4.05799048e-04 4.92776745e-04 -4.15789235e-04] [ 4.05799048e-04 4.92776745e-04 4.15789235e-04] [-4.05799048e-04 4.92776745e-04 -4.15789235e-04] [ 4.05799048e-04 4.92776745e-04 4.15789235e-04] [ 4.05799048e-04 -4.92776745e-04 4.15789235e-04] [-4.05799048e-04 -4.92776745e-04 -4.15789235e-04] [ 4.05799048e-04 -4.92776745e-04 4.15789235e-04] [-4.05799048e-04 -4.92776745e-04 -4.15789235e-04] [ 6.01899267e-04 7.39414039e-03 -2.34505256e-03] [-6.01899267e-04 7.39414039e-03 2.34505256e-03] [ 6.01899267e-04 7.39414039e-03 -2.34505256e-03] [-6.01899267e-04 7.39414039e-03 2.34505256e-03] [-6.01899267e-04 -7.39414039e-03 2.34505256e-03] [ 6.01899267e-04 -7.39414039e-03 -2.34505256e-03] [-6.01899267e-04 -7.39414039e-03 2.34505256e-03] [ 6.01899267e-04 -7.39414039e-03 -2.34505256e-03] [-2.00764272e-04 1.81811515e-04 2.28117076e-04] [ 2.00764272e-04 1.81811515e-04 -2.28117076e-04] [-2.00764272e-04 1.81811515e-04 2.28117076e-04] [ 2.00764272e-04 1.81811515e-04 -2.28117076e-04] [ 2.00764272e-04 -1.81811515e-04 -2.28117076e-04] [-2.00764272e-04 -1.81811515e-04 2.28117076e-04] [ 2.00764272e-04 -1.81811515e-04 -2.28117076e-04] [-2.00764272e-04 -1.81811515e-04 2.28117076e-04] [-2.50606323e-04 -4.37947307e-04 3.63685314e-04] [ 2.50606323e-04 -4.37947307e-04 -3.63685314e-04] [-2.50606323e-04 -4.37947307e-04 3.63685314e-04] [ 2.50606323e-04 -4.37947307e-04 -3.63685314e-04] [ 2.50606323e-04 4.37947307e-04 -3.63685314e-04] [-2.50606323e-04 4.37947307e-04 3.63685314e-04] [ 2.50606323e-04 4.37947307e-04 -3.63685314e-04] [-2.50606323e-04 4.37947307e-04 3.63685314e-04] [ 5.06785540e-04 9.68173849e-04 4.04226534e-04] [-5.06785540e-04 9.68173849e-04 -4.04226534e-04] [ 5.06785540e-04 9.68173849e-04 4.04226534e-04] [-5.06785540e-04 9.68173849e-04 -4.04226534e-04] [-5.06785540e-04 -9.68173849e-04 -4.04226534e-04] [ 5.06785540e-04 -9.68173849e-04 4.04226534e-04] [-5.06785540e-04 -9.68173849e-04 -4.04226534e-04] [ 5.06785540e-04 -9.68173849e-04 4.04226534e-04] [ 2.05526961e-04 1.30823433e-03 6.43214272e-04] [-2.05526961e-04 1.30823433e-03 -6.43214272e-04] [ 2.05526961e-04 1.30823433e-03 6.43214272e-04] [-2.05526961e-04 1.30823433e-03 -6.43214272e-04] [-2.05526961e-04 -1.30823433e-03 -6.43214272e-04] [ 2.05526961e-04 -1.30823433e-03 6.43214272e-04] [-2.05526961e-04 -1.30823433e-03 -6.43214272e-04] [ 2.05526961e-04 -1.30823433e-03 6.43214272e-04] [ 3.36135773e-03 1.72424168e-03 -2.79365044e-03] [-3.36135773e-03 1.72424168e-03 2.79365044e-03] [ 3.36135773e-03 1.72424168e-03 -2.79365044e-03] [-3.36135773e-03 1.72424168e-03 2.79365044e-03] [-3.36135773e-03 -1.72424168e-03 2.79365044e-03] [ 3.36135773e-03 -1.72424168e-03 -2.79365044e-03] [-3.36135773e-03 -1.72424168e-03 2.79365044e-03] [ 3.36135773e-03 -1.72424168e-03 -2.79365044e-03] [-6.17378228e-03 -1.49272847e-03 -4.61270586e-03] [ 6.17378228e-03 -1.49272847e-03 4.61270586e-03] [-6.17378228e-03 -1.49272847e-03 -4.61270586e-03] [ 6.17378228e-03 -1.49272847e-03 4.61270586e-03] [ 6.17378228e-03 1.49272847e-03 4.61270586e-03] [-6.17378228e-03 1.49272847e-03 -4.61270586e-03] [ 6.17378228e-03 1.49272847e-03 4.61270586e-03] [-6.17378228e-03 1.49272847e-03 -4.61270586e-03] [ 6.24288569e-02 1.07355113e-01 1.01167623e-02] [-6.24288569e-02 1.07355113e-01 -1.01167623e-02] [ 6.24288569e-02 1.07355113e-01 1.01167623e-02] [-6.24288569e-02 1.07355113e-01 -1.01167623e-02] [-6.24288569e-02 -1.07355113e-01 -1.01167623e-02] [ 6.24288569e-02 -1.07355113e-01 1.01167623e-02] [-6.24288569e-02 -1.07355113e-01 -1.01167623e-02] [ 6.24288569e-02 -1.07355113e-01 1.01167623e-02] [-4.60851506e-03 -3.44414486e-03 -1.28515561e-02] [ 4.60851506e-03 -3.44414486e-03 1.28515561e-02] [-4.60851506e-03 -3.44414486e-03 -1.28515561e-02] [ 4.60851506e-03 -3.44414486e-03 1.28515561e-02] [ 4.60851506e-03 3.44414486e-03 1.28515561e-02] [-4.60851506e-03 3.44414486e-03 -1.28515561e-02] [ 4.60851506e-03 3.44414486e-03 1.28515561e-02] [-4.60851506e-03 3.44414486e-03 -1.28515561e-02]] stress = [ 5.32206541e-04 1.63695003e-03 -1.62376558e-04 4.67575497e-24 1.15377332e-05 -6.55014935e-24] energy per atom = -4.499682904997738 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0