element(s): ['B', 'H', 'N'] AFLOW prototype label: AB6C_oC32_36_a_2a2b_a Parameter names: ['a', 'b/a', 'c/a', 'y1', 'z1', 'y2', 'z2', 'y3', 'z3', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6'] model type (only 'standard' supported at this time): standard number of parameter sets: 3 Parameter values for parameter set 0: ['5.9975', '1.2304293', '1.090371', '0.85101266', '0.70369762', '0.86233073', '0.036965882', '0.73174712', '0.57509536', '0.76352983', '0.92591235', '0.36219755', '0.1843579', '0.95128736', '0.83112846', '0.9446616', '0.68802203'] Parameter values for parameter set 1: ['6.4412', '1.0472272', '0.91909893', '0.15782677', '0.29620694', '0.26337237', '0.46394589', '0.21136896', '0.9308752', '0.2959247', '0.076207908', '0.84404595', '0.054063745', '0.28869512', '0.37149701', '0.88547934', '0.067536907'] Parameter values for parameter set 2: ['6.2619', '1.080359', '1.0011338', '0.15359558', '0.28826404', '0.18289626', '0.94094948', '0.26822415', '0.43822572', '0.27656736', '0.070414758', '0.36746405', '0.86524927', '0.054922771', '0.83972113', '0.049897853', '0.28960023'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['B', 'H', 'H', 'H', 'H', 'N'] representative atom coordinates = [[0. 0.85101266 0.70369762] [0. 0.86233073 0.03696588] [0. 0.73174712 0.57509536] [0.36219755 0.1843579 0.95128736] [0.83112846 0.9446616 0.68802203] [0. 0.76352983 0.92591235]] spacegroup = 36 cell = [[5.9975, 0, 0], [0, 7.3795, 0], [0, 0, 6.5395]] ========================================= Step Time Energy fmax BFGS: 0 19:46:55 -146.566063 7.624481 BFGS: 1 19:46:56 -149.451065 16.270334 BFGS: 2 19:46:56 -148.222252 11.835358 BFGS: 3 19:46:57 -145.454314 35.787979 BFGS: 4 19:46:57 -149.393399 9.746995 BFGS: 5 19:46:58 -149.473211 14.041721 BFGS: 6 19:46:59 -148.837207 17.492905 BFGS: 7 19:46:59 -150.414819 6.150134 BFGS: 8 19:47:00 -148.423535 15.924717 BFGS: 9 19:47:01 -150.883081 2.674876 BFGS: 10 19:47:01 -150.975176 0.977788 BFGS: 11 19:47:03 -151.031630 0.945220 BFGS: 12 19:47:04 -151.103925 1.776570 BFGS: 13 19:47:05 -151.291783 2.985446 BFGS: 14 19:47:06 -151.472249 4.378860 BFGS: 15 19:47:07 -151.653969 5.705922 BFGS: 16 19:47:08 -151.829331 6.966900 BFGS: 17 19:47:08 -151.998928 8.109818 BFGS: 18 19:47:09 -152.162786 9.073654 BFGS: 19 19:47:10 -152.321447 9.811774 BFGS: 20 19:47:10 -152.475687 10.303597 BFGS: 21 19:47:11 -152.622577 10.578868 BFGS: 22 19:47:12 -152.758763 10.681939 BFGS: 23 19:47:13 -152.890823 10.663398 BFGS: 24 19:47:14 -153.027558 10.581176 BFGS: 25 19:47:15 -153.176591 11.042736 BFGS: 26 19:47:15 -153.342181 11.656767 BFGS: 27 19:47:16 -153.522872 12.223507 BFGS: 28 19:47:16 -153.717044 12.752633 BFGS: 29 19:47:17 -153.921189 13.254881 BFGS: 30 19:47:18 -154.131401 13.725778 BFGS: 31 19:47:18 -154.337432 14.185935 BFGS: 32 19:47:19 -154.547525 14.608593 BFGS: 33 19:47:20 -154.771688 14.999868 BFGS: 34 19:47:20 -155.017472 15.363326 BFGS: 35 19:47:21 -155.292528 15.699630 BFGS: 36 19:47:21 -155.609501 16.003448 BFGS: 37 19:47:22 -155.990555 16.265268 BFGS: 38 19:47:23 -156.466476 16.476741 BFGS: 39 19:47:24 -157.054201 16.641332 BFGS: 40 19:47:24 -157.755353 16.762580 BFGS: 41 19:47:25 -158.532152 16.877624 BFGS: 42 19:47:26 -159.368464 16.983360 BFGS: 43 19:47:27 -160.428671 17.004750 BFGS: 44 19:47:27 -161.783186 16.974358 BFGS: 45 19:47:28 -163.464646 16.935805 BFGS: 46 19:47:29 -165.532122 16.894419 BFGS: 47 19:47:29 -167.956409 16.858713 BFGS: 48 19:47:30 -170.599621 16.847118 BFGS: 49 19:47:31 -173.188418 16.895431 BFGS: 50 19:47:31 -175.471464 17.009606 BFGS: 51 19:47:32 -177.397914 17.154794 BFGS: 52 19:47:33 -179.392917 17.296449 BFGS: 53 19:47:33 -181.475366 17.428565 BFGS: 54 19:47:34 -183.564048 19.901394 BFGS: 55 19:47:34 -186.099377 22.829482 BFGS: 56 19:47:35 -188.669087 30.146352 BFGS: 57 19:47:36 -191.877694 33.115777 BFGS: 58 19:47:36 -194.967083 38.441565 BFGS: 59 19:47:37 -197.354827 46.857082 BFGS: 60 19:47:37 -199.441913 50.877065 BFGS: 61 19:47:38 -201.405284 54.217046 BFGS: 62 19:47:39 -203.185287 55.895068 BFGS: 63 19:47:39 -205.386161 58.965953 BFGS: 64 19:47:40 -207.463667 61.263346 BFGS: 65 19:47:40 -209.857373 61.851290 BFGS: 66 19:47:41 -212.246833 62.232161 BFGS: 67 19:47:42 -214.599603 62.361129 BFGS: 68 19:47:43 -216.874050 62.363050 BFGS: 69 19:47:43 -219.012984 62.266334 BFGS: 70 19:47:44 -220.985631 62.114133 BFGS: 71 19:47:46 -222.787130 62.018699 BFGS: 72 19:47:48 -224.430381 61.994101 BFGS: 73 19:47:49 -225.957939 62.068276 BFGS: 74 19:47:50 -227.402528 62.253556 BFGS: 75 19:47:51 -228.808606 62.544723 BFGS: 76 19:47:52 -230.281245 62.888827 BFGS: 77 19:47:53 -231.755020 61.914183 BFGS: 78 19:47:55 -233.228159 61.168710 BFGS: 79 19:47:57 -234.584993 60.243929 BFGS: 80 19:47:58 -235.896679 59.598438 BFGS: 81 19:47:59 -237.155790 58.971963 BFGS: 82 19:48:01 -238.396311 58.528447 BFGS: 83 19:48:02 -239.606368 58.105111 BFGS: 84 19:48:03 -240.797447 57.824130 BFGS: 85 19:48:04 -241.950237 57.525646 BFGS: 86 19:48:05 -243.080531 57.366510 BFGS: 87 19:48:06 -244.186827 57.056825 BFGS: 88 19:48:07 -245.332454 56.876786 BFGS: 89 19:48:08 -246.469715 56.199526 BFGS: 90 19:48:09 -247.680130 55.882129 BFGS: 91 19:48:09 -248.843278 54.736788 BFGS: 92 19:48:09 -250.102089 54.212772 BFGS: 93 19:48:09 -251.315205 52.923613 BFGS: 94 19:48:09 -252.581234 51.942900 BFGS: 95 19:48:09 -253.820993 50.616716 BFGS: 96 19:48:10 -255.062581 49.387137 BFGS: 97 19:48:10 -256.273951 48.057921 BFGS: 98 19:48:10 -257.461236 46.786916 BFGS: 99 19:48:10 -258.614682 45.518277 BFGS: 100 19:48:10 -259.738049 44.286184 BFGS: 101 19:48:10 -260.825852 43.736012 BFGS: 102 19:48:11 -261.883351 43.276876 BFGS: 103 19:48:12 -262.913045 42.805679 BFGS: 104 19:48:13 -263.917896 42.317845 BFGS: 105 19:48:13 -264.900534 41.814449 BFGS: 106 19:48:13 -265.863730 41.292709 BFGS: 107 19:48:14 -266.809995 40.750578 BFGS: 108 19:48:15 -267.741645 40.184638 BFGS: 109 19:48:15 -268.660654 39.591272 BFGS: 110 19:48:16 -269.568619 38.966111 BFGS: 111 19:48:17 -270.466706 38.312360 BFGS: 112 19:48:18 -271.356723 37.608645 BFGS: 113 19:48:21 -272.237261 36.856392 BFGS: 114 19:48:21 -273.107645 36.052803 BFGS: 115 19:48:22 -273.969413 35.174852 BFGS: 116 19:48:22 -274.816718 34.249321 BFGS: 117 19:48:23 -275.648415 33.256598 BFGS: 118 19:48:24 -276.461850 32.196377 BFGS: 119 19:48:25 -277.254479 31.062017 BFGS: 120 19:48:26 -278.023616 29.852099 BFGS: 121 19:48:27 -278.766830 28.564300 BFGS: 122 19:48:27 -279.482244 27.195747 BFGS: 123 19:48:28 -280.167553 25.765549 BFGS: 124 19:48:29 -280.824111 24.247386 BFGS: 125 19:48:30 -281.451355 22.669712 BFGS: 126 19:48:32 -282.051894 21.048650 BFGS: 127 19:48:34 -282.630681 20.104804 BFGS: 128 19:48:35 -283.196668 19.208331 BFGS: 129 19:48:37 -283.765953 18.373247 BFGS: 130 19:48:38 -284.368696 17.647837 BFGS: 131 19:48:38 -285.105737 17.169349 BFGS: 132 19:48:39 -285.747434 16.851455 BFGS: 133 19:48:40 -286.602703 15.670853 BFGS: 134 19:48:41 -287.466951 14.337655 BFGS: 135 19:48:43 -288.296934 15.724166 BFGS: 136 19:48:43 -289.193965 18.300750 BFGS: 137 19:48:44 -290.044635 22.092317 BFGS: 138 19:48:46 -290.946021 27.306914 BFGS: 139 19:48:47 -291.581703 33.196888 BFGS: 140 19:48:48 -291.815313 35.711514 BFGS: 141 19:48:49 -292.054093 37.647734 BFGS: 142 19:48:50 -292.385384 36.586179 BFGS: 143 19:48:51 -292.793624 37.313639 BFGS: 144 19:48:52 -293.139837 36.214347 BFGS: 145 19:48:52 -293.374215 36.089995 BFGS: 146 19:48:53 -293.587151 35.713730 BFGS: 147 19:48:54 -293.792414 35.634771 BFGS: 148 19:48:55 -293.994089 35.389284 BFGS: 149 19:48:56 -294.196074 35.290978 BFGS: 150 19:48:57 -294.398235 35.088411 BFGS: 151 19:48:58 -294.602666 34.954248 BFGS: 152 19:48:59 -294.808646 34.751997 BFGS: 153 19:48:59 -295.017407 34.571295 BFGS: 154 19:49:00 -295.227070 34.362190 BFGS: 155 19:49:01 -295.440031 34.153771 BFGS: 156 19:49:01 -295.655474 33.912812 BFGS: 157 19:49:02 -295.872912 33.680336 BFGS: 158 19:49:03 -296.093229 33.417426 BFGS: 159 19:49:03 -296.316779 33.153857 BFGS: 160 19:49:04 -296.543272 32.869532 BFGS: 161 19:49:04 -296.773418 32.590084 BFGS: 162 19:49:05 -297.008160 32.273762 BFGS: 163 19:49:06 -297.246467 31.964066 BFGS: 164 19:49:06 -297.488892 31.630135 BFGS: 165 19:49:07 -297.733114 31.317538 BFGS: 166 19:49:07 -297.982321 30.966105 BFGS: 167 19:49:08 -298.234339 30.623648 BFGS: 168 19:49:09 -298.491200 30.242874 BFGS: 169 19:49:09 -298.753668 29.893534 BFGS: 170 19:49:10 -299.016069 29.907758 BFGS: 171 19:49:10 -299.276185 29.886958 BFGS: 172 19:49:11 -299.532887 29.844537 BFGS: 173 19:49:12 -299.788213 29.767662 BFGS: 174 19:49:12 -300.040078 29.665677 BFGS: 175 19:49:13 -300.291396 29.537614 BFGS: 176 19:49:13 -300.539033 29.371313 BFGS: 177 19:49:14 -300.786403 29.197436 BFGS: 178 19:49:15 -301.030591 28.966020 BFGS: 179 19:49:15 -301.273995 28.741073 BFGS: 180 19:49:16 -301.515231 28.448227 BFGS: 181 19:49:16 -301.755070 28.165804 BFGS: 182 19:49:18 -301.993328 27.812156 BFGS: 183 19:49:19 -302.229703 27.470396 BFGS: 184 19:49:20 -302.464616 27.054123 BFGS: 185 19:49:21 -302.697154 26.653206 BFGS: 186 19:49:21 -302.928039 26.171229 BFGS: 187 19:49:22 -303.155932 25.712806 BFGS: 188 19:49:23 -303.381755 25.161137 BFGS: 189 19:49:24 -303.603779 24.648662 BFGS: 190 19:49:25 -303.823405 24.023560 BFGS: 191 19:49:26 -304.037821 23.468875 BFGS: 192 19:49:28 -304.249013 22.771537 BFGS: 193 19:49:29 -304.454472 22.159056 BFGS: 194 19:49:30 -304.655414 21.406981 BFGS: 195 19:49:31 -304.850213 20.727464 BFGS: 196 19:49:31 -305.039542 19.933509 BFGS: 197 19:49:32 -305.222535 19.188790 BFGS: 198 19:49:32 -305.399628 18.356538 BFGS: 199 19:49:33 -305.570431 17.554498 BFGS: 200 19:49:34 -305.735189 16.691440 BFGS: 201 19:49:35 -305.894429 15.851056 BFGS: 202 19:49:36 -306.048798 14.958156 BFGS: 203 19:49:37 -306.196543 14.108460 BFGS: 204 19:49:38 -306.332668 13.271036 BFGS: 205 19:49:40 -306.464964 12.486708 BFGS: 206 19:49:41 -306.590688 11.714317 BFGS: 207 19:49:42 -306.715351 11.003681 BFGS: 208 19:49:43 -306.836880 10.310767 BFGS: 209 19:49:44 -306.959751 9.679541 BFGS: 210 19:49:44 -307.082215 9.070707 BFGS: 211 19:49:45 -307.207501 8.517298 BFGS: 212 19:49:46 -307.334168 8.260964 BFGS: 213 19:49:47 -307.464054 8.165919 BFGS: 214 19:49:48 -307.596159 8.107845 BFGS: 215 19:49:49 -307.731324 8.073193 BFGS: 216 19:49:50 -307.869014 8.062780 BFGS: 217 19:49:50 -308.009388 8.069549 BFGS: 218 19:49:51 -308.152071 8.091962 BFGS: 219 19:49:52 -308.296918 8.126308 BFGS: 220 19:49:53 -308.443627 8.170683 BFGS: 221 19:49:54 -308.591932 8.223280 BFGS: 222 19:49:55 -308.741883 8.285809 BFGS: 223 19:49:56 -308.891395 8.379318 BFGS: 224 19:49:57 -309.042183 8.486357 BFGS: 225 19:49:58 -309.193177 8.579190 BFGS: 226 19:49:58 -309.348776 8.611922 BFGS: 227 19:49:59 -309.511834 8.578407 BFGS: 228 19:50:00 -309.683772 8.491030 BFGS: 229 19:50:01 -309.864203 8.377368 BFGS: 230 19:50:02 -310.054000 8.240104 BFGS: 231 19:50:03 -310.253359 8.080081 BFGS: 232 19:50:04 -310.461754 7.923264 BFGS: 233 19:50:05 -310.676280 7.783873 BFGS: 234 19:50:06 -310.908207 7.568348 BFGS: 235 19:50:07 -311.148341 7.356970 BFGS: 236 19:50:08 -311.398918 7.119287 BFGS: 237 19:50:09 -311.656239 6.877670 BFGS: 238 19:50:09 -311.921597 6.612113 BFGS: 239 19:50:10 -312.191293 6.644234 BFGS: 240 19:50:10 -312.466529 7.119741 BFGS: 241 19:50:11 -312.743631 7.617939 BFGS: 242 19:50:11 -313.024025 8.146665 BFGS: 243 19:50:12 -313.304052 8.693506 BFGS: 244 19:50:13 -313.585636 9.268023 BFGS: 245 19:50:14 -313.864936 9.854240 BFGS: 246 19:50:14 -314.144687 10.465351 BFGS: 247 19:50:16 -314.420483 11.079670 BFGS: 248 19:50:17 -314.696324 11.717284 BFGS: 249 19:50:18 -314.966610 12.347043 BFGS: 250 19:50:18 -315.237360 13.001442 BFGS: 251 19:50:19 -315.500892 13.633382 BFGS: 252 19:50:19 -315.768566 14.310739 BFGS: 253 19:50:20 -316.024311 14.932138 BFGS: 254 19:50:20 -316.285617 15.681624 BFGS: 255 19:50:21 -316.533760 16.818807 BFGS: 256 19:50:22 -316.788911 17.840319 BFGS: 257 19:50:23 -317.030987 18.972247 BFGS: 258 19:50:23 -317.279385 19.997130 BFGS: 259 19:50:25 -317.517370 21.097883 BFGS: 260 19:50:26 -317.759592 22.117810 BFGS: 261 19:50:27 -317.992262 23.162472 BFGS: 262 19:50:27 -318.229903 24.160898 BFGS: 263 19:50:30 -318.462739 25.175224 BFGS: 264 19:50:30 -318.690535 26.108308 BFGS: 265 19:50:32 -318.922945 27.067528 BFGS: 266 19:50:33 -319.153480 27.994687 BFGS: 267 19:50:34 -319.385349 28.906119 BFGS: 268 19:50:36 -319.617018 29.792114 BFGS: 269 19:50:37 -319.849618 30.654233 BFGS: 270 19:50:38 -320.082759 31.490513 BFGS: 271 19:50:39 -320.316943 32.299954 BFGS: 272 19:50:40 -320.552104 33.082124 BFGS: 273 19:50:40 -320.788507 33.836058 BFGS: 274 19:50:41 -321.026174 34.561730 BFGS: 275 19:50:42 -321.265247 35.258694 BFGS: 276 19:50:44 -321.505960 35.927241 BFGS: 277 19:50:44 -321.746072 36.569033 BFGS: 278 19:50:45 -321.989893 37.179136 BFGS: 279 19:50:47 -322.233861 37.767364 BFGS: 280 19:50:47 -322.480108 38.327229 BFGS: 281 19:50:49 -322.727170 38.865614 BFGS: 282 19:50:51 -322.975753 39.380850 BFGS: 283 19:50:52 -323.225195 39.877845 BFGS: 284 19:50:53 -323.475579 40.358574 BFGS: 285 19:50:54 -323.726700 40.859024 BFGS: 286 19:50:55 -323.988531 41.332481 BFGS: 287 19:50:55 -324.245494 41.758349 BFGS: 288 19:50:56 -324.541482 42.235331 BFGS: 289 19:50:57 -324.831870 42.569103 BFGS: 290 19:50:58 -325.235943 42.881983 BFGS: 291 19:50:59 -325.801043 43.638037 BFGS: 292 19:51:01 -326.245619 44.010268 BFGS: 293 19:51:02 -326.761881 44.350333 BFGS: 294 19:51:04 -327.355541 44.726385 BFGS: 295 19:51:06 -328.032126 44.994946 BFGS: 296 19:51:07 -328.797025 45.261276 BFGS: 297 19:51:09 -329.634464 45.459966 BFGS: 298 19:51:11 -330.514386 45.625596 BFGS: 299 19:51:12 -331.359050 45.703570 BFGS: 300 19:51:13 -332.163964 45.646211 BFGS: 301 19:51:15 -332.956414 45.285367 BFGS: 302 19:51:16 -333.689273 44.674067 BFGS: 303 19:51:17 -334.312552 44.564753 BFGS: 304 19:51:19 -334.917300 45.310169 BFGS: 305 19:51:20 -335.659217 46.451535 BFGS: 306 19:51:20 -336.544816 47.489995 BFGS: 307 19:51:22 -337.789151 48.666187 BFGS: 308 19:51:23 -339.022829 48.214504 BFGS: 309 19:51:24 -340.948237 46.722840 BFGS: 310 19:51:25 -342.800032 40.873625 BFGS: 311 19:51:26 -344.996028 40.109856 BFGS: 312 19:51:28 -347.113451 33.032434 BFGS: 313 19:51:29 -348.785275 29.521102 BFGS: 314 19:51:30 -350.319264 25.536367 BFGS: 315 19:51:31 -351.442794 22.207424 BFGS: 316 19:51:32 -352.298970 20.026412 BFGS: 317 19:51:33 -352.809465 16.733880 BFGS: 318 19:51:36 -353.059074 13.404845 BFGS: 319 19:51:37 -353.169597 12.792143 BFGS: 320 19:51:38 -353.317402 10.942749 BFGS: 321 19:51:39 -353.572237 10.089007 BFGS: 322 19:51:40 -353.664901 10.616795 BFGS: 323 19:51:40 -353.737953 11.604736 BFGS: 324 19:51:42 -353.770489 11.882266 BFGS: 325 19:51:42 -353.803612 11.810661 BFGS: 326 19:51:43 -353.864413 11.311568 BFGS: 327 19:51:44 -353.974351 10.439353 BFGS: 328 19:51:44 -354.141008 9.755818 BFGS: 329 19:51:45 -354.328300 9.332385 BFGS: 330 19:51:45 -354.531976 8.807776 BFGS: 331 19:51:46 -354.742202 8.242072 BFGS: 332 19:51:47 -354.954090 7.685441 BFGS: 333 19:51:48 -355.164359 7.153142 BFGS: 334 19:51:49 -355.372711 6.667430 BFGS: 335 19:51:50 -355.574788 6.903204 BFGS: 336 19:51:51 -355.774956 8.155318 BFGS: 337 19:51:51 -355.973081 9.361504 BFGS: 338 19:51:51 -356.172801 10.473188 BFGS: 339 19:51:52 -356.375191 11.470374 BFGS: 340 19:51:52 -356.581887 12.327760 BFGS: 341 19:51:53 -356.793792 13.049196 BFGS: 342 19:51:53 -357.011319 13.632925 BFGS: 343 19:51:54 -357.235328 14.085660 BFGS: 344 19:51:56 -357.459301 14.431048 BFGS: 345 19:51:56 -357.685308 14.667685 BFGS: 346 19:51:57 -357.916231 14.759177 BFGS: 347 19:51:58 -358.146580 14.770760 BFGS: 348 19:51:59 -358.375516 14.679318 BFGS: 349 19:52:00 -358.598991 14.535517 BFGS: 350 19:52:00 -358.815506 14.342251 BFGS: 351 19:52:01 -359.022876 14.137251 BFGS: 352 19:52:01 -359.221210 13.930939 BFGS: 353 19:52:01 -359.411005 13.747817 BFGS: 354 19:52:02 -359.595085 13.587837 BFGS: 355 19:52:02 -359.775092 13.486585 BFGS: 356 19:52:03 -359.955222 13.522574 BFGS: 357 19:52:03 -360.162765 13.424469 BFGS: 358 19:52:05 -360.380477 13.384433 BFGS: 359 19:52:06 -360.637679 13.127165 BFGS: 360 19:52:06 -360.913566 12.889036 BFGS: 361 19:52:07 -361.242822 12.364199 BFGS: 362 19:52:08 -361.612953 11.744700 BFGS: 363 19:52:09 -362.058690 10.782155 BFGS: 364 19:52:09 -362.590855 9.543826 BFGS: 365 19:52:11 -363.259431 7.846872 BFGS: 366 19:52:12 -364.129020 7.530053 BFGS: 367 19:52:12 -365.342703 9.892609 BFGS: 368 19:52:13 -367.204173 13.107117 BFGS: 369 19:52:13 -370.458469 17.927988 BFGS: 370 19:52:13 -376.696329 24.210521 BFGS: 371 19:52:14 -385.052542 22.188606 BFGS: 372 19:52:15 -386.506248 33.874909 BFGS: 373 19:52:16 -388.797108 18.350167 BFGS: 374 19:52:17 -389.192264 13.723005 BFGS: 375 19:52:18 -390.865432 12.330187 BFGS: 376 19:52:18 -391.489742 12.859106 BFGS: 377 19:52:18 -392.069331 13.652357 BFGS: 378 19:52:18 -392.545908 13.966278 BFGS: 379 19:52:18 -392.962306 14.702247 BFGS: 380 19:52:19 -393.335885 16.416218 BFGS: 381 19:52:19 -393.681363 17.730676 BFGS: 382 19:52:19 -393.995728 18.914257 BFGS: 383 19:52:20 -394.278558 19.999448 BFGS: 384 19:52:20 -394.528472 21.128395 BFGS: 385 19:52:20 -394.749357 22.331338 BFGS: 386 19:52:20 -394.947899 23.694668 BFGS: 387 19:52:21 -395.135322 25.225521 BFGS: 388 19:52:21 -395.323781 26.962197 BFGS: 389 19:52:22 -395.525073 28.866355 BFGS: 390 19:52:24 -395.746211 30.922963 BFGS: 391 19:52:25 -395.989543 33.072267 BFGS: 392 19:52:27 -396.250737 35.292623 BFGS: 393 19:52:28 -396.572994 37.436361 BFGS: 394 19:52:30 -397.014479 39.409172 BFGS: 395 19:52:31 -397.623617 41.185318 BFGS: 396 19:52:32 -398.433296 42.718510 BFGS: 397 19:52:33 -399.451084 44.036411 BFGS: 398 19:52:34 -400.601534 45.201363 BFGS: 399 19:52:35 -401.764232 46.905576 BFGS: 400 19:52:36 -402.822436 48.132812 BFGS: 401 19:52:36 -403.799865 50.156489 BFGS: 402 19:52:37 -404.746032 52.044209 BFGS: 403 19:52:38 -405.656077 53.880314 BFGS: 404 19:52:39 -406.485196 55.485980 BFGS: 405 19:52:39 -407.234214 57.109921 BFGS: 406 19:52:40 -408.051697 58.951694 BFGS: 407 19:52:41 -409.439724 62.249961 BFGS: 408 19:52:42 -411.452872 66.831134 BFGS: 409 19:52:43 -413.490062 64.848517 BFGS: 410 19:52:43 -415.922844 58.303464 BFGS: 411 19:52:45 -419.142353 49.245309 BFGS: 412 19:52:46 -422.427984 36.856671 BFGS: 413 19:52:47 -425.597629 23.782550 BFGS: 414 19:52:48 -426.611676 17.934762 BFGS: 415 19:52:50 -427.251892 12.178413 BFGS: 416 19:52:51 -427.874607 7.546435 BFGS: 417 19:52:53 -428.393390 7.538877 BFGS: 418 19:52:54 -428.912097 8.151832 BFGS: 419 19:52:56 -429.465241 8.593835 BFGS: 420 19:52:57 -430.029740 8.884427 BFGS: 421 19:52:57 -430.600658 8.953213 BFGS: 422 19:52:58 -431.165624 8.944424 BFGS: 423 19:52:58 -431.725285 8.790792 BFGS: 424 19:52:59 -432.272124 8.623195 BFGS: 425 19:53:01 -432.811506 8.356582 BFGS: 426 19:53:01 -433.336056 8.124428 BFGS: 427 19:53:02 -433.854797 7.752477 BFGS: 428 19:53:02 -434.356180 7.535356 BFGS: 429 19:53:03 -434.858526 7.820468 BFGS: 430 19:53:04 -435.340520 8.441586 BFGS: 431 19:53:06 -435.831440 8.697409 BFGS: 432 19:53:07 -436.301405 9.517273 BFGS: 433 19:53:08 -436.782502 9.831263 BFGS: 434 19:53:10 -437.257630 10.643328 BFGS: 435 19:53:11 -437.743975 10.951557 BFGS: 436 19:53:12 -438.234918 11.488718 BFGS: 437 19:53:13 -438.714232 11.505302 BFGS: 438 19:53:14 -439.014401 9.511923 BFGS: 439 19:53:15 -439.110009 7.441866 BFGS: 440 19:53:16 -439.178778 6.185855 BFGS: 441 19:53:17 -439.198441 6.084988 BFGS: 442 19:53:18 -439.211416 6.152310 BFGS: 443 19:53:20 -439.217446 6.179274 BFGS: 444 19:53:21 -439.222723 5.980833 BFGS: 445 19:53:22 -439.227500 6.102406 BFGS: 446 19:53:23 -439.241976 6.770048 BFGS: 447 19:53:24 -439.269933 7.155846 BFGS: 448 19:53:25 -439.355141 7.915516 BFGS: 449 19:53:26 -439.510832 8.192260 BFGS: 450 19:53:27 -439.726798 6.922361 BFGS: 451 19:53:28 -439.928429 5.146422 BFGS: 452 19:53:30 -440.077824 3.136004 BFGS: 453 19:53:32 -440.121935 2.865680 BFGS: 454 19:53:33 -440.127458 2.902579 BFGS: 455 19:53:33 -440.130656 2.915937 BFGS: 456 19:53:33 -440.132407 2.917917 BFGS: 457 19:53:34 -440.149645 2.972662 BFGS: 458 19:53:35 -440.177192 3.369675 BFGS: 459 19:53:36 -440.237242 3.806921 BFGS: 460 19:53:37 -440.301849 4.621288 BFGS: 461 19:53:37 -440.372618 5.187608 BFGS: 462 19:53:38 -440.448037 5.543028 BFGS: 463 19:53:39 -440.526629 5.754289 BFGS: 464 19:53:40 -440.607151 5.859978 BFGS: 465 19:53:40 -440.688551 5.884472 BFGS: 466 19:53:41 -440.769914 5.844670 BFGS: 467 19:53:42 -440.850754 5.752989 BFGS: 468 19:53:42 -440.929435 5.636326 BFGS: 469 19:53:43 -441.006383 5.476794 BFGS: 470 19:53:43 -441.080860 5.289135 BFGS: 471 19:53:43 -441.152396 5.075381 BFGS: 472 19:53:44 -441.220602 4.840047 BFGS: 473 19:53:44 -441.285155 4.586178 BFGS: 474 19:53:44 -441.346521 4.316465 BFGS: 475 19:53:44 -441.402960 4.049038 BFGS: 476 19:53:45 -441.455440 3.768579 BFGS: 477 19:53:46 -441.503700 3.477586 BFGS: 478 19:53:47 -441.547593 3.176445 BFGS: 479 19:53:48 -441.587018 2.866903 BFGS: 480 19:53:49 -441.621910 2.550220 BFGS: 481 19:53:50 -441.652319 2.229795 BFGS: 482 19:53:52 -441.678222 2.093466 BFGS: 483 19:53:53 -441.699614 2.266886 BFGS: 484 19:53:54 -441.716579 2.439251 BFGS: 485 19:53:55 -441.729244 2.724924 BFGS: 486 19:53:56 -441.737839 3.056841 BFGS: 487 19:53:57 -441.742783 3.375282 BFGS: 488 19:53:58 -441.744873 3.604087 BFGS: 489 19:53:59 -441.745853 3.700353 BFGS: 490 19:54:00 -441.747088 3.837275 BFGS: 491 19:54:01 -441.747738 3.851115 BFGS: 492 19:54:02 -441.748255 3.783949 BFGS: 493 19:54:03 -441.748543 3.678733 BFGS: 494 19:54:05 -441.748581 3.657593 BFGS: 495 19:54:06 -441.748600 3.650641 BFGS: 496 19:54:07 -441.748607 3.649935 BFGS: 497 19:54:08 -441.748613 3.653996 BFGS: 498 19:54:09 -441.748616 3.655802 BFGS: 499 19:54:11 -441.748632 3.667383 BFGS: 500 19:54:13 -441.748662 3.681479 BFGS: 501 19:54:15 -441.748744 3.709302 BFGS: 502 19:54:16 -441.748937 3.750036 BFGS: 503 19:54:17 -441.749443 3.817851 BFGS: 504 19:54:17 -441.750722 3.922245 BFGS: 505 19:54:19 -441.754068 4.090949 BFGS: 506 19:54:19 -441.762956 4.361113 BFGS: 507 19:54:20 -441.779138 4.713488 BFGS: 508 19:54:21 -441.801519 5.002002 BFGS: 509 19:54:21 -441.828595 5.238963 BFGS: 510 19:54:22 -441.857064 5.439186 BFGS: 511 19:54:23 -441.888859 5.622146 BFGS: 512 19:54:24 -441.920996 5.818247 BFGS: 513 19:54:25 -441.958171 6.003527 BFGS: 514 19:54:25 -441.999329 6.195847 BFGS: 515 19:54:26 -442.043575 6.387814 BFGS: 516 19:54:27 -442.090292 6.583325 BFGS: 517 19:54:28 -442.129234 6.780924 BFGS: 518 19:54:29 -442.164193 6.972723 BFGS: 519 19:54:29 -442.199220 7.083537 BFGS: 520 19:54:30 -442.232322 7.231046 BFGS: 521 19:54:30 -442.262589 7.338414 BFGS: 522 19:54:31 -442.289552 7.462173 BFGS: 523 19:54:33 -442.314394 7.545355 BFGS: 524 19:54:34 -442.335941 7.650652 BFGS: 525 19:54:34 -442.376779 7.450740 BFGS: 526 19:54:35 -442.421707 7.311414 BFGS: 527 19:54:36 -442.467246 7.192649 BFGS: 528 19:54:36 -442.516939 7.058018 BFGS: 529 19:54:37 -442.572854 6.898546 BFGS: 530 19:54:38 -442.637384 6.734522 BFGS: 531 19:54:39 -442.711072 6.584735 BFGS: 532 19:54:40 -442.796642 6.407138 BFGS: 533 19:54:41 -442.895007 6.255348 BFGS: 534 19:54:41 -443.010449 6.079317 BFGS: 535 19:54:42 -443.141188 5.909326 BFGS: 536 19:54:43 -443.287349 5.773492 BFGS: 537 19:54:44 -443.452399 5.669097 BFGS: 538 19:54:44 -443.629012 5.573544 BFGS: 539 19:54:44 -443.817107 5.480890 BFGS: 540 19:54:45 -444.016568 5.391103 BFGS: 541 19:54:46 -444.228264 5.349654 BFGS: 542 19:54:47 -444.452089 5.297920 BFGS: 543 19:54:48 -444.688641 5.247183 BFGS: 544 19:54:48 -444.939387 5.291961 BFGS: 545 19:54:49 -445.201244 5.327255 BFGS: 546 19:54:49 -445.474525 5.360236 BFGS: 547 19:54:50 -445.758278 5.393287 BFGS: 548 19:54:50 -446.051310 5.429811 BFGS: 549 19:54:51 -446.354084 5.474379 BFGS: 550 19:54:51 -446.659448 5.525765 BFGS: 551 19:54:53 -446.967621 5.575841 BFGS: 552 19:54:53 -447.279705 5.633071 BFGS: 553 19:54:54 -447.596222 5.699429 BFGS: 554 19:54:55 -447.917901 5.779822 BFGS: 555 19:54:56 -448.245310 5.879179 BFGS: 556 19:54:57 -448.573767 6.007362 BFGS: 557 19:54:57 -448.902092 6.232105 BFGS: 558 19:54:58 -449.228957 6.953352 BFGS: 559 19:54:58 -449.558091 7.935683 BFGS: 560 19:54:58 -449.910385 8.679796 BFGS: 561 19:54:59 -450.290173 9.013191 BFGS: 562 19:55:00 -450.688882 8.980274 BFGS: 563 19:55:00 -451.081746 8.686376 BFGS: 564 19:55:01 -451.455507 8.216787 BFGS: 565 19:55:02 -451.792026 7.650701 BFGS: 566 19:55:03 -452.094747 7.076782 BFGS: 567 19:55:05 -452.351566 6.529898 BFGS: 568 19:55:06 -452.582557 6.141136 BFGS: 569 19:55:07 -452.780436 5.766197 BFGS: 570 19:55:07 -452.960905 5.579229 BFGS: 571 19:55:08 -453.125593 5.613234 BFGS: 572 19:55:08 -453.278432 5.558911 BFGS: 573 19:55:09 -453.422890 5.763537 BFGS: 574 19:55:10 -453.561597 6.115139 BFGS: 575 19:55:11 -453.693484 6.565403 BFGS: 576 19:55:12 -453.822312 6.973632 BFGS: 577 19:55:12 -453.948393 7.365751 BFGS: 578 19:55:13 -454.071187 7.745964 BFGS: 579 19:55:14 -454.192725 8.096800 BFGS: 580 19:55:14 -454.311639 8.452917 BFGS: 581 19:55:15 -454.429732 8.778453 BFGS: 582 19:55:17 -454.541706 9.137946 BFGS: 583 19:55:18 -454.651020 9.423104 BFGS: 584 19:55:19 -454.759651 9.731773 BFGS: 585 19:55:21 -454.870349 9.887096 BFGS: 586 19:55:22 -454.980631 10.162195 BFGS: 587 19:55:22 -455.105091 10.430010 BFGS: 588 19:55:23 -455.247004 10.618592 BFGS: 589 19:55:24 -455.422569 10.733979 BFGS: 590 19:55:25 -455.680074 10.698284 BFGS: 591 19:55:26 -456.025492 10.521108 BFGS: 592 19:55:27 -456.583977 10.056536 BFGS: 593 19:55:28 -457.119554 9.622875 BFGS: 594 19:55:29 -457.674280 9.249044 BFGS: 595 19:55:30 -458.193901 8.869133 BFGS: 596 19:55:32 -458.707186 8.770211 BFGS: 597 19:55:32 -459.354757 8.844093 BFGS: 598 19:55:33 -459.934279 8.629384 BFGS: 599 19:55:34 -461.575363 8.961499 BFGS: 600 19:55:34 -462.148684 8.211094 BFGS: 601 19:55:35 -462.706935 7.572344 BFGS: 602 19:55:36 -463.215325 7.384386 BFGS: 603 19:55:37 -463.722990 7.270843 BFGS: 604 19:55:38 -464.238526 7.167918 BFGS: 605 19:55:40 -464.763770 7.071390 BFGS: 606 19:55:41 -465.297648 6.977069 BFGS: 607 19:55:42 -465.840970 6.878864 BFGS: 608 19:55:44 -466.391551 6.788548 BFGS: 609 19:55:45 -466.951266 6.740950 BFGS: 610 19:55:46 -467.520261 6.816144 BFGS: 611 19:55:47 -468.098547 6.892673 BFGS: 612 19:55:48 -468.686147 6.983647 BFGS: 613 19:55:49 -469.285261 7.066866 BFGS: 614 19:55:50 -469.893240 7.146370 BFGS: 615 19:55:51 -470.511095 7.227747 BFGS: 616 19:55:53 -471.138328 7.311517 BFGS: 617 19:55:53 -471.775758 7.397959 BFGS: 618 19:55:56 -472.424932 7.480347 BFGS: 619 19:55:58 -473.083521 7.568396 BFGS: 620 19:55:58 -473.752935 7.661300 BFGS: 621 19:55:59 -474.434373 7.756395 BFGS: 622 19:56:00 -475.128539 7.849076 BFGS: 623 19:56:01 -475.833649 7.943245 BFGS: 624 19:56:01 -476.550115 8.039038 BFGS: 625 19:56:03 -477.278292 8.136484 BFGS: 626 19:56:04 -478.018480 8.235482 BFGS: 627 19:56:05 -478.770925 8.336070 BFGS: 628 19:56:06 -479.535875 8.438239 BFGS: 629 19:56:07 -480.313572 8.541995 BFGS: 630 19:56:08 -481.104544 8.655367 BFGS: 631 19:56:09 -481.909142 8.765103 BFGS: 632 19:56:10 -482.727561 8.872110 BFGS: 633 19:56:11 -483.559648 8.982980 BFGS: 634 19:56:12 -484.406039 9.092782 BFGS: 635 19:56:12 -485.266498 9.209999 BFGS: 636 19:56:13 -486.141357 9.325823 BFGS: 637 19:56:13 -487.031487 9.451883 BFGS: 638 19:56:14 -487.937000 9.585840 BFGS: 639 19:56:15 -488.858859 9.699937 BFGS: 640 19:56:16 -489.795804 9.821313 BFGS: 641 19:56:17 -490.748269 9.948973 BFGS: 642 19:56:18 -491.717515 10.067077 BFGS: 643 19:56:18 -492.701959 10.195360 BFGS: 644 19:56:19 -493.702452 10.323253 BFGS: 645 19:56:20 -494.719308 10.462534 BFGS: 646 19:56:21 -495.752673 10.593531 BFGS: 647 19:56:22 -496.802505 10.726566 BFGS: 648 19:56:23 -497.870991 10.870943 BFGS: 649 19:56:25 -498.957142 11.001682 BFGS: 650 19:56:25 -500.059695 11.140589 BFGS: 651 19:56:25 -501.179472 11.281015 BFGS: 652 19:56:26 -502.316578 11.420701 BFGS: 653 19:56:26 -503.470708 11.563219 BFGS: 654 19:56:27 -504.642346 11.718608 BFGS: 655 19:56:28 -505.831671 11.865106 BFGS: 656 19:56:28 -507.038967 12.013375 BFGS: 657 19:56:29 -508.263769 12.157186 BFGS: 658 19:56:29 -509.505697 12.307435 BFGS: 659 19:56:30 -510.764773 12.456619 BFGS: 660 19:56:31 -512.041296 12.609015 BFGS: 661 19:56:32 -513.335055 12.758655 BFGS: 662 19:56:33 -514.645985 12.926146 BFGS: 663 19:56:34 -515.974313 13.089616 BFGS: 664 19:56:35 -517.319465 13.238643 BFGS: 665 19:56:36 -518.680904 13.401737 BFGS: 666 19:56:36 -520.057976 13.562317 BFGS: 667 19:56:37 -521.450912 13.722219 BFGS: 668 19:56:38 -522.859597 13.885268 BFGS: 669 19:56:38 -524.283452 14.036852 BFGS: 670 19:56:39 -525.722399 14.239966 BFGS: 671 19:56:40 -527.177541 14.394773 BFGS: 672 19:56:40 -528.645576 14.557055 BFGS: 673 19:56:41 -530.126562 14.718459 BFGS: 674 19:56:42 -531.620191 14.897976 BFGS: 675 19:56:43 -533.126422 15.052802 BFGS: 676 19:56:45 -534.644430 15.211543 BFGS: 677 19:56:45 -536.172958 15.367038 BFGS: 678 19:56:46 -537.709999 15.531439 BFGS: 679 19:56:47 -539.257085 15.681779 BFGS: 680 19:56:48 -540.812540 15.854828 BFGS: 681 19:56:48 -542.378216 15.996544 BFGS: 682 19:56:49 -543.950174 16.148696 BFGS: 683 19:56:49 -545.530132 16.290601 BFGS: 684 19:56:50 -547.115695 16.427032 BFGS: 685 19:56:50 -548.709194 16.550367 BFGS: 686 19:56:51 -550.313656 16.672533 BFGS: 687 19:56:53 -551.933614 16.777120 BFGS: 688 19:56:54 -553.565621 16.877379 BFGS: 689 19:56:56 -555.205991 16.958950 BFGS: 690 19:56:57 -556.791757 17.050297 BFGS: 691 19:56:58 -558.280319 17.111713 BFGS: 692 19:56:59 -559.727485 17.182816 BFGS: 693 19:57:00 -561.122066 17.242724 BFGS: 694 19:57:02 -562.482108 17.290493 BFGS: 695 19:57:03 -563.817341 17.333149 BFGS: 696 19:57:04 -565.124770 17.354445 BFGS: 697 19:57:05 -566.432331 17.375184 BFGS: 698 19:57:06 -567.720445 17.379608 BFGS: 699 19:57:07 -568.994969 17.371381 BFGS: 700 19:57:08 -570.255226 17.344630 BFGS: 701 19:57:09 -571.503955 17.301277 BFGS: 702 19:57:11 -572.734072 17.229960 BFGS: 703 19:57:12 -573.963325 17.138726 BFGS: 704 19:57:13 -575.163674 17.008818 BFGS: 705 19:57:14 -576.365800 16.864511 BFGS: 706 19:57:16 -577.557810 16.680438 BFGS: 707 19:57:17 -578.732280 16.464218 BFGS: 708 19:57:18 -579.906435 16.225241 BFGS: 709 19:57:19 -581.063069 15.962019 BFGS: 710 19:57:21 -582.207888 15.682465 BFGS: 711 19:57:22 -583.337619 15.394767 BFGS: 712 19:57:24 -584.454380 15.107581 BFGS: 713 19:57:26 -585.592604 14.855103 BFGS: 714 19:57:28 -586.739612 14.639553 BFGS: 715 19:57:29 -587.953132 14.527735 BFGS: 716 19:57:30 -589.231771 14.459516 BFGS: 717 19:57:31 -590.556897 14.468792 BFGS: 718 19:57:33 -591.929854 14.527961 BFGS: 719 19:57:34 -593.333854 14.630803 BFGS: 720 19:57:35 -594.749368 14.740416 BFGS: 721 19:57:36 -596.192747 14.866052 BFGS: 722 19:57:38 -597.643712 14.993432 BFGS: 723 19:57:40 -599.113010 15.113820 BFGS: 724 19:57:41 -600.584872 15.241528 BFGS: 725 19:57:43 -602.094476 15.355439 BFGS: 726 19:57:44 -603.606905 15.470498 BFGS: 727 19:57:46 -605.143179 15.572451 BFGS: 728 19:57:47 -606.714848 15.685081 BFGS: 729 19:57:48 -608.295242 15.788553 BFGS: 730 19:57:50 -609.922920 15.909280 BFGS: 731 19:57:51 -611.576011 16.032117 BFGS: 732 19:57:52 -613.279162 16.174773 BFGS: 733 19:57:53 -615.009022 16.303174 BFGS: 734 19:57:54 -616.807474 16.496325 BFGS: 735 19:57:55 -618.618753 16.638351 BFGS: 736 19:57:56 -620.515358 16.865773 BFGS: 737 19:57:56 -622.390780 16.995414 BFGS: 738 19:57:57 -624.417650 17.344614 BFGS: 739 19:57:58 -626.336588 17.358102 BFGS: 740 19:57:59 -627.670939 16.397822 BFGS: 741 19:58:00 -629.780693 16.690503 BFGS: 742 19:58:02 -631.819002 16.861451 BFGS: 743 19:58:04 -633.890304 17.022415 BFGS: 744 19:58:04 -635.913495 17.104450 BFGS: 745 19:58:05 -637.960618 17.166750 BFGS: 746 19:58:06 -639.818362 17.047502 BFGS: 747 19:58:08 -641.792762 16.984155 BFGS: 748 19:58:10 -643.717515 16.847652 BFGS: 749 19:58:11 -645.615440 16.647484 BFGS: 750 19:58:12 -647.474749 16.383049 BFGS: 751 19:58:12 -649.297049 16.061259 BFGS: 752 19:58:13 -651.080914 15.685157 BFGS: 753 19:58:14 -652.828613 15.266661 BFGS: 754 19:58:15 -654.535170 14.794586 BFGS: 755 19:58:16 -656.209922 14.285680 BFGS: 756 19:58:17 -657.850031 13.743883 BFGS: 757 19:58:18 -659.461683 13.221544 BFGS: 758 19:58:20 -661.039238 12.646208 BFGS: 759 19:58:21 -662.604701 12.066107 BFGS: 760 19:58:23 -664.147747 11.490203 BFGS: 761 19:58:25 -665.679187 10.959781 BFGS: 762 19:58:26 -667.197169 10.431306 BFGS: 763 19:58:29 -668.711286 9.905961 BFGS: 764 19:58:31 -670.226815 9.430243 BFGS: 765 19:58:33 -671.744638 8.988677 BFGS: 766 19:58:36 -673.268685 8.616156 BFGS: 767 19:58:37 -674.801559 8.871663 BFGS: 768 19:58:39 -676.353332 9.112298 BFGS: 769 19:58:40 -677.934043 9.339619 BFGS: 770 19:58:41 -679.547336 9.548283 BFGS: 771 19:58:42 -681.199955 9.741332 BFGS: 772 19:58:45 -682.898246 9.915044 BFGS: 773 19:58:46 -684.638312 10.061608 BFGS: 774 19:58:49 -686.431175 10.185553 BFGS: 775 19:58:50 -688.278023 10.290163 BFGS: 776 19:58:51 -690.175691 10.365817 BFGS: 777 19:58:52 -692.131720 10.426330 BFGS: 778 19:58:54 -694.147839 10.464346 BFGS: 779 19:58:56 -696.220394 10.477254 BFGS: 780 19:58:57 -698.354567 10.468973 BFGS: 781 19:58:58 -700.547165 10.445694 BFGS: 782 19:58:59 -702.803621 10.406488 BFGS: 783 19:59:01 -705.120425 10.352496 BFGS: 784 19:59:03 -707.505966 10.350148 BFGS: 785 19:59:05 -709.958106 10.819348 BFGS: 786 19:59:07 -712.473046 11.309030 BFGS: 787 19:59:10 -715.058230 11.833455 BFGS: 788 19:59:12 -717.706884 12.332723 BFGS: 789 19:59:13 -720.436205 12.891374 BFGS: 790 19:59:14 -723.228952 13.403718 BFGS: 791 19:59:15 -726.114814 13.962526 BFGS: 792 19:59:16 -729.046765 14.440141 BFGS: 793 19:59:17 -732.098653 15.051716 BFGS: 794 19:59:17 -735.160537 15.469584 BFGS: 795 19:59:18 -738.409797 16.154558 BFGS: 796 19:59:19 -741.544774 16.366391 BFGS: 797 19:59:20 -745.276867 18.035443 BFGS: 798 19:59:21 -748.844231 19.156018 BFGS: 799 19:59:21 -752.181911 18.828094 BFGS: 800 19:59:22 -755.540488 18.537424 BFGS: 801 19:59:23 -759.284775 19.582024 BFGS: 802 19:59:23 -763.020354 20.532987 BFGS: 803 19:59:24 -766.741266 21.390706 BFGS: 804 19:59:25 -770.425573 22.132395 BFGS: 805 19:59:27 -774.056065 22.753011 BFGS: 806 19:59:28 -777.605359 23.278202 BFGS: 807 19:59:29 -781.028931 24.715443 BFGS: 808 19:59:30 -784.282906 26.763763 BFGS: 809 19:59:31 -787.309766 28.709390 BFGS: 810 19:59:33 -790.055433 30.590394 BFGS: 811 19:59:34 -792.473868 32.404996 BFGS: 812 19:59:35 -794.552184 34.179462 BFGS: 813 19:59:37 -796.327144 35.912268 BFGS: 814 19:59:38 -797.888111 37.493561 BFGS: 815 19:59:40 -799.411756 38.679928 BFGS: 816 19:59:42 -801.148803 39.000623 BFGS: 817 19:59:44 -803.083318 37.465769 BFGS: 818 19:59:46 -804.875489 34.601369 BFGS: 819 19:59:48 -806.649368 30.585110 BFGS: 820 19:59:50 -808.378853 25.890467 BFGS: 821 19:59:51 -810.112367 20.284615 BFGS: 822 19:59:52 -811.695822 14.484886 BFGS: 823 19:59:53 -813.150783 10.607224 BFGS: 824 19:59:55 -814.199534 11.961698 BFGS: 825 19:59:55 -814.842139 11.861341 BFGS: 826 19:59:56 -816.162032 11.124934 BFGS: 827 19:59:58 -817.414042 13.303186 BFGS: 828 20:00:00 -818.492142 15.330239 BFGS: 829 20:00:01 -819.719680 17.570651 BFGS: 830 20:00:02 -820.983647 21.251177 BFGS: 831 20:00:03 -822.302142 25.123537 BFGS: 832 20:00:04 -823.666343 29.216977 BFGS: 833 20:00:06 -825.071611 33.568514 BFGS: 834 20:00:08 -826.557798 38.244122 BFGS: 835 20:00:09 -828.345247 43.177485 BFGS: 836 20:00:10 -830.907320 46.774981 BFGS: 837 20:00:11 -835.110134 48.268178 BFGS: 838 20:00:13 -841.238214 47.190625 BFGS: 839 20:00:14 -848.785834 43.744720 BFGS: 840 20:00:15 -856.721151 39.409075 BFGS: 841 20:00:16 -864.380003 35.526589 BFGS: 842 20:00:17 -872.007165 32.630317 BFGS: 843 20:00:18 -878.869240 30.915530 BFGS: 844 20:00:19 -886.042390 29.233034 BFGS: 845 20:00:21 -891.908836 29.171854 BFGS: 846 20:00:21 -899.566113 31.246163 BFGS: 847 20:00:22 -905.603180 33.244318 BFGS: 848 20:00:23 -911.979942 36.165425 BFGS: 849 20:00:23 -917.062395 34.543181 BFGS: 850 20:00:26 -922.272597 32.463914 BFGS: 851 20:00:29 -926.256058 27.701937 BFGS: 852 20:00:31 -928.249776 38.970888 BFGS: 853 20:00:33 -930.139425 25.967910 BFGS: 854 20:00:35 -932.526583 22.159474 BFGS: 855 20:00:38 -934.832445 14.799104 BFGS: 856 20:00:41 -935.839302 13.429492 BFGS: 857 20:00:43 -936.878040 13.568816 BFGS: 858 20:00:44 -937.689039 13.431654 BFGS: 859 20:00:46 -938.479817 16.896972 BFGS: 860 20:00:48 -939.479334 21.416124 BFGS: 861 20:00:50 -940.544846 25.307842 BFGS: 862 20:00:52 -941.745382 28.510443 BFGS: 863 20:00:53 -943.005481 31.254321 BFGS: 864 20:00:55 -944.367402 33.479054 BFGS: 865 20:00:57 -945.827512 35.094845 BFGS: 866 20:00:58 -947.324721 35.844487 BFGS: 867 20:01:00 -948.711976 35.645566 BFGS: 868 20:01:01 -950.035633 34.817720 BFGS: 869 20:01:02 -951.294279 33.565176 BFGS: 870 20:01:03 -952.528745 32.193417 BFGS: 871 20:01:04 -953.770153 30.502531 BFGS: 872 20:01:04 -955.034823 31.353076 BFGS: 873 20:01:05 -956.490669 34.497736 BFGS: 874 20:01:06 -958.158630 37.549359 BFGS: 875 20:01:07 -960.476033 40.687415 BFGS: 876 20:01:08 -962.929814 43.119253 BFGS: 877 20:01:11 -965.480482 44.751486 BFGS: 878 20:01:13 -968.070939 46.104115 BFGS: 879 20:01:16 -970.732629 46.825752 BFGS: 880 20:01:17 -973.332345 47.654076 BFGS: 881 20:01:19 -975.907478 47.697879 BFGS: 882 20:01:20 -978.336259 47.965396 BFGS: 883 20:01:21 -980.678410 47.591154 BFGS: 884 20:01:22 -982.890163 47.370210 BFGS: 885 20:01:23 -985.034763 46.667855 BFGS: 886 20:01:25 -987.115462 46.079198 BFGS: 887 20:01:27 -989.191279 45.077108 BFGS: 888 20:01:28 -991.292144 44.177210 BFGS: 889 20:01:31 -993.405041 42.585313 BFGS: 890 20:01:32 -995.573149 41.247640 BFGS: 891 20:01:34 -997.711362 38.560479 BFGS: 892 20:01:36 -999.984320 36.074149 BFGS: 893 20:01:38 -1001.818275 32.824089 BFGS: 894 20:01:40 -1003.592065 31.443681 BFGS: 895 20:01:41 -1005.209019 30.426720 BFGS: 896 20:01:43 -1006.822253 29.501373 BFGS: 897 20:01:44 -1008.300628 27.538952 BFGS: 898 20:01:45 -1009.790181 25.620889 BFGS: 899 20:01:47 -1011.246177 22.843571 BFGS: 900 20:01:47 -1012.795608 22.069210 BFGS: 901 20:01:49 -1013.890683 21.103892 BFGS: 902 20:01:50 -1014.698213 20.052167 BFGS: 903 20:01:51 -1015.422038 19.266620 BFGS: 904 20:01:52 -1016.065460 18.669558 BFGS: 905 20:01:53 -1016.671441 19.978645 BFGS: 906 20:01:53 -1017.234515 21.054517 BFGS: 907 20:01:54 -1017.764174 21.951450 BFGS: 908 20:01:55 -1018.257870 22.656196 BFGS: 909 20:01:56 -1018.716460 23.224110 BFGS: 910 20:01:57 -1019.140708 23.669768 BFGS: 911 20:01:58 -1019.532992 24.042567 BFGS: 912 20:01:59 -1019.893904 24.306574 BFGS: 913 20:02:00 -1020.230425 24.529048 BFGS: 914 20:02:02 -1020.547389 24.701682 BFGS: 915 20:02:03 -1020.850799 24.849250 BFGS: 916 20:02:04 -1021.145384 24.990997 BFGS: 917 20:02:06 -1021.438412 25.131065 BFGS: 918 20:02:08 -1021.734655 25.290938 BFGS: 919 20:02:10 -1022.037515 25.403541 BFGS: 920 20:02:10 -1022.348164 25.559900 BFGS: 921 20:02:11 -1022.667253 25.742612 BFGS: 922 20:02:12 -1022.994646 25.962663 BFGS: 923 20:02:12 -1023.325836 26.190084 BFGS: 924 20:02:13 -1023.677241 26.467159 BFGS: 925 20:02:14 -1024.065762 26.762836 BFGS: 926 20:02:15 -1024.507445 27.091015 BFGS: 927 20:02:16 -1025.017008 27.429349 BFGS: 928 20:02:17 -1025.607607 27.851484 BFGS: 929 20:02:18 -1026.292189 28.229984 BFGS: 930 20:02:20 -1027.079919 28.694490 BFGS: 931 20:02:22 -1027.984542 29.131493 BFGS: 932 20:02:23 -1029.011202 29.674142 BFGS: 933 20:02:25 -1030.174466 30.105524 BFGS: 934 20:02:26 -1031.471088 30.785996 BFGS: 935 20:02:28 -1032.914442 30.889189 BFGS: 936 20:02:30 -1034.297562 30.582874 BFGS: 937 20:02:31 -1036.091826 31.470303 BFGS: 938 20:02:33 -1037.888109 31.598037 BFGS: 939 20:02:35 -1039.609069 31.509455 BFGS: 940 20:02:36 -1042.059696 33.153874 BFGS: 941 20:02:37 -1044.226778 33.634621 BFGS: 942 20:02:38 -1046.373007 33.830640 BFGS: 943 20:02:38 -1048.472965 33.898040 BFGS: 944 20:02:40 -1050.528611 33.627215 BFGS: 945 20:02:42 -1052.494948 33.180881 BFGS: 946 20:02:43 -1054.379647 32.468478 BFGS: 947 20:02:44 -1056.144928 31.573371 BFGS: 948 20:02:45 -1057.805028 30.331843 BFGS: 949 20:02:46 -1059.301620 29.027920 BFGS: 950 20:02:47 -1060.673491 27.318139 BFGS: 951 20:02:50 -1061.853336 25.793797 BFGS: 952 20:02:51 -1062.896727 25.606398 BFGS: 953 20:02:53 -1063.751475 23.322107 BFGS: 954 20:02:54 -1064.465929 21.844044 BFGS: 955 20:02:57 -1065.028251 18.646775 BFGS: 956 20:02:59 -1065.477624 16.952472 BFGS: 957 20:02:59 -1065.819487 15.860344 BFGS: 958 20:03:00 -1066.097730 17.213002 BFGS: 959 20:03:01 -1066.269077 18.843083 BFGS: 960 20:03:02 -1066.457369 20.282583 BFGS: 961 20:03:04 -1066.636705 21.848568 BFGS: 962 20:03:05 -1066.892439 22.638688 BFGS: 963 20:03:06 -1067.202167 22.992998 BFGS: 964 20:03:08 -1067.671185 23.048394 BFGS: 965 20:03:09 -1068.371141 23.646418 BFGS: 966 20:03:12 -1068.827003 24.179125 BFGS: 967 20:03:13 -1069.260007 24.750239 BFGS: 968 20:03:14 -1069.693547 25.309361 BFGS: 969 20:03:15 -1070.126083 25.870410 BFGS: 970 20:03:17 -1070.550334 26.421018 BFGS: 971 20:03:19 -1070.955791 26.958507 BFGS: 972 20:03:20 -1071.331017 27.461908 BFGS: 973 20:03:21 -1071.663405 27.919966 BFGS: 974 20:03:22 -1071.943556 28.316535 BFGS: 975 20:03:23 -1072.166455 28.628546 BFGS: 976 20:03:25 -1072.340932 28.789684 BFGS: 977 20:03:26 -1072.488778 28.701479 BFGS: 978 20:03:27 -1072.714816 28.186627 BFGS: 979 20:03:28 -1073.070726 27.035796 BFGS: 980 20:03:29 -1073.467578 25.797918 BFGS: 981 20:03:30 -1073.891096 24.815798 BFGS: 982 20:03:32 -1074.330184 24.060444 BFGS: 983 20:03:33 -1074.773317 23.449427 BFGS: 984 20:03:34 -1075.219939 22.921691 BFGS: 985 20:03:36 -1075.670378 22.443874 BFGS: 986 20:03:37 -1076.124214 21.999252 BFGS: 987 20:03:39 -1076.580790 21.578021 BFGS: 988 20:03:40 -1077.039540 21.175122 BFGS: 989 20:03:42 -1077.499932 20.787266 BFGS: 990 20:03:44 -1077.961089 20.411066 BFGS: 991 20:03:45 -1078.422513 20.046875 BFGS: 992 20:03:46 -1078.883398 19.690644 BFGS: 993 20:03:47 -1079.343379 19.341187 BFGS: 994 20:03:48 -1079.801281 19.001074 BFGS: 995 20:03:48 -1080.257873 18.664848 BFGS: 996 20:03:49 -1080.711725 18.336924 BFGS: 997 20:03:50 -1081.162725 18.011957 BFGS: 998 20:03:51 -1081.610031 17.692448 BFGS: 999 20:03:52 -1082.052964 17.377139 BFGS: 1000 20:03:53 -1082.489968 17.070349 BFGS: 1001 20:03:53 -1082.922194 16.764364 BFGS: 1002 20:03:54 -1083.348367 16.463147 BFGS: 1003 20:03:55 -1083.767943 16.165233 BFGS: 1004 20:03:56 -1084.181503 15.871090 BFGS: 1005 20:03:57 -1084.588351 15.580606 BFGS: 1006 20:03:58 -1084.987917 15.292942 BFGS: 1007 20:03:59 -1085.380043 15.009083 BFGS: 1008 20:03:59 -1085.765001 14.727682 BFGS: 1009 20:04:00 -1086.140615 14.454907 BFGS: 1010 20:04:01 -1086.509676 14.181323 BFGS: 1011 20:04:02 -1086.870212 13.910970 BFGS: 1012 20:04:03 -1087.222796 13.644833 BFGS: 1013 20:04:04 -1087.566369 13.380893 BFGS: 1014 20:04:05 -1087.902219 13.117540 BFGS: 1015 20:04:06 -1088.229278 12.858752 BFGS: 1016 20:04:06 -1088.547867 12.602055 BFGS: 1017 20:04:07 -1088.857674 12.349167 BFGS: 1018 20:04:08 -1089.158737 12.098879 BFGS: 1019 20:04:09 -1089.451353 11.851817 BFGS: 1020 20:04:10 -1089.734527 11.610518 BFGS: 1021 20:04:10 -1090.010107 11.369936 BFGS: 1022 20:04:11 -1090.276905 11.135560 BFGS: 1023 20:04:12 -1090.535484 10.903643 BFGS: 1024 20:04:12 -1090.785533 10.676844 BFGS: 1025 20:04:13 -1091.027429 10.453582 BFGS: 1026 20:04:14 -1091.261070 10.235421 BFGS: 1027 20:04:15 -1091.486766 10.021438 BFGS: 1028 20:04:16 -1091.704506 9.812812 BFGS: 1029 20:04:17 -1091.914582 9.608924 BFGS: 1030 20:04:18 -1092.117045 9.410768 BFGS: 1031 20:04:18 -1092.312189 9.217901 BFGS: 1032 20:04:19 -1092.500112 9.031215 BFGS: 1033 20:04:20 -1092.681120 8.850383 BFGS: 1034 20:04:21 -1092.855408 8.676230 BFGS: 1035 20:04:22 -1093.023166 8.509512 BFGS: 1036 20:04:23 -1093.184719 8.348750 BFGS: 1037 20:04:24 -1093.340388 8.195223 BFGS: 1038 20:04:25 -1093.489978 8.053441 BFGS: 1039 20:04:26 -1093.635003 7.911983 BFGS: 1040 20:04:27 -1093.774449 7.783476 BFGS: 1041 20:04:28 -1093.909590 7.659351 BFGS: 1042 20:04:29 -1094.039857 7.547489 BFGS: 1043 20:04:31 -1094.166369 7.442073 BFGS: 1044 20:04:32 -1094.288967 7.382211 BFGS: 1045 20:04:33 -1094.408404 7.565971 BFGS: 1046 20:04:35 -1094.524557 7.750607 BFGS: 1047 20:04:36 -1094.638274 7.920285 BFGS: 1048 20:04:37 -1094.749442 8.091409 BFGS: 1049 20:04:38 -1094.858896 8.247240 BFGS: 1050 20:04:39 -1094.966514 8.404849 BFGS: 1051 20:04:40 -1095.073111 8.547192 BFGS: 1052 20:04:41 -1095.178548 8.691542 BFGS: 1053 20:04:42 -1095.283650 8.808982 BFGS: 1054 20:04:43 -1095.388159 8.946964 BFGS: 1055 20:04:44 -1095.492883 9.065589 BFGS: 1056 20:04:44 -1095.597570 9.185567 BFGS: 1057 20:04:46 -1095.702824 9.275414 BFGS: 1058 20:04:47 -1095.808363 9.382365 BFGS: 1059 20:04:47 -1095.915108 9.479879 BFGS: 1060 20:04:48 -1096.023055 9.574716 BFGS: 1061 20:04:49 -1096.132855 9.658347 BFGS: 1062 20:04:50 -1096.244434 9.742601 BFGS: 1063 20:04:50 -1096.358394 9.816285 BFGS: 1064 20:04:51 -1096.474503 9.892480 BFGS: 1065 20:04:52 -1096.593546 9.960437 BFGS: 1066 20:04:53 -1096.716822 10.002725 BFGS: 1067 20:04:54 -1096.841526 10.074067 BFGS: 1068 20:04:54 -1096.969413 10.126287 BFGS: 1069 20:04:55 -1097.098690 10.197775 BFGS: 1070 20:04:56 -1097.230996 10.246858 BFGS: 1071 20:04:56 -1097.363860 10.329671 BFGS: 1072 20:04:57 -1097.500559 10.354907 BFGS: 1073 20:04:58 -1097.639215 10.190442 BFGS: 1074 20:04:59 -1097.777565 10.293276 BFGS: 1075 20:05:00 -1097.913641 10.489008 BFGS: 1076 20:05:01 -1098.054421 10.527581 BFGS: 1077 20:05:01 -1098.194716 10.588076 BFGS: 1078 20:05:02 -1098.334805 10.644144 BFGS: 1079 20:05:04 -1098.474153 10.710256 BFGS: 1080 20:05:05 -1098.612666 10.787348 BFGS: 1081 20:05:07 -1098.749964 10.866788 BFGS: 1082 20:05:07 -1098.885799 10.944290 BFGS: 1083 20:05:08 -1099.019944 11.030541 BFGS: 1084 20:05:09 -1099.152033 11.127615 BFGS: 1085 20:05:10 -1099.281883 11.221141 BFGS: 1086 20:05:10 -1099.409298 11.327228 BFGS: 1087 20:05:12 -1099.534029 11.441236 BFGS: 1088 20:05:13 -1099.655552 11.555605 BFGS: 1089 20:05:14 -1099.773656 11.667458 BFGS: 1090 20:05:16 -1099.888169 11.768646 BFGS: 1091 20:05:18 -1099.999001 11.872335 BFGS: 1092 20:05:20 -1100.105584 12.018969 BFGS: 1093 20:05:22 -1100.208012 12.153116 BFGS: 1094 20:05:23 -1100.305966 12.303612 BFGS: 1095 20:05:25 -1100.399121 12.429305 BFGS: 1096 20:05:26 -1100.487380 12.593337 BFGS: 1097 20:05:28 -1100.570611 12.745792 BFGS: 1098 20:05:30 -1100.648796 12.908071 BFGS: 1099 20:05:30 -1100.721923 13.059159 BFGS: 1100 20:05:31 -1100.789986 13.229637 BFGS: 1101 20:05:32 -1100.853065 13.394443 BFGS: 1102 20:05:34 -1100.911374 13.543996 BFGS: 1103 20:05:35 -1100.965186 13.719372 BFGS: 1104 20:05:35 -1101.014846 13.886419 BFGS: 1105 20:05:36 -1101.060548 14.054850 BFGS: 1106 20:05:38 -1101.102946 14.197354 BFGS: 1107 20:05:38 -1101.142661 14.373043 BFGS: 1108 20:05:39 -1101.180503 14.530399 BFGS: 1109 20:05:40 -1101.217723 14.712674 BFGS: 1110 20:05:42 -1101.255060 14.840058 BFGS: 1111 20:05:42 -1101.293195 14.977434 BFGS: 1112 20:05:43 -1101.333240 15.095841 BFGS: 1113 20:05:44 -1101.376274 15.219580 BFGS: 1114 20:05:45 -1101.423073 15.321553 BFGS: 1115 20:05:46 -1101.474434 15.426011 BFGS: 1116 20:05:47 -1101.530486 15.497410 BFGS: 1117 20:05:48 -1101.591937 15.567370 BFGS: 1118 20:05:49 -1101.658948 15.618246 BFGS: 1119 20:05:50 -1101.731724 15.661893 BFGS: 1120 20:05:50 -1101.810121 15.680859 BFGS: 1121 20:05:51 -1101.893599 15.693259 BFGS: 1122 20:05:51 -1101.981370 15.671981 BFGS: 1123 20:05:52 -1102.072610 15.646922 BFGS: 1124 20:05:53 -1102.165347 15.567633 BFGS: 1125 20:05:55 -1102.257121 15.490201 BFGS: 1126 20:05:56 -1102.340000 15.248714 BFGS: 1127 20:05:57 -1102.372052 15.190621 BFGS: 1128 20:05:57 -1102.398048 14.861843 BFGS: 1129 20:05:58 -1102.418677 14.839637 BFGS: 1130 20:05:59 -1102.435982 14.733964 BFGS: 1131 20:06:00 -1102.450862 14.696880 BFGS: 1132 20:06:01 -1102.463036 14.685390 BFGS: 1133 20:06:03 -1102.472831 14.704831 BFGS: 1134 20:06:04 -1102.479182 14.764328 BFGS: 1135 20:06:05 -1102.487852 14.864357 BFGS: 1136 20:06:06 -1102.494805 14.960395 BFGS: 1137 20:06:07 -1102.499195 14.969809 BFGS: 1138 20:06:08 -1102.502021 14.944576 BFGS: 1139 20:06:09 -1102.504166 14.878813 BFGS: 1140 20:06:10 -1102.505998 14.815977 BFGS: 1141 20:06:11 -1102.507274 14.793301 BFGS: 1142 20:06:12 -1102.507966 14.833071 BFGS: 1143 20:06:13 -1102.508346 14.865692 BFGS: 1144 20:06:14 -1102.508559 14.925469 BFGS: 1145 20:06:15 -1102.508707 14.973693 BFGS: 1146 20:06:16 -1102.508810 15.018043 BFGS: 1147 20:06:17 -1102.508879 15.038109 BFGS: 1148 20:06:18 -1102.508921 15.040121 BFGS: 1149 20:06:18 -1102.508951 15.029317 BFGS: 1150 20:06:19 -1102.508972 15.014921 BFGS: 1151 20:06:20 -1102.508986 15.001996 BFGS: 1152 20:06:21 -1102.508994 14.996660 BFGS: 1153 20:06:22 -1102.508998 14.996612 BFGS: 1154 20:06:23 -1102.509000 14.999433 BFGS: 1155 20:06:24 -1102.509002 15.003427 BFGS: 1156 20:06:25 -1102.509002 15.006820 BFGS: 1157 20:06:26 -1102.509003 15.009793 BFGS: 1158 20:06:27 -1102.509003 15.011113 BFGS: 1159 20:06:28 -1102.509003 15.011871 BFGS: 1160 20:06:28 -1102.509003 15.011900 BFGS: 1161 20:06:29 -1102.509003 15.011708 BFGS: 1162 20:06:30 -1102.509003 15.011613 BFGS: 1163 20:06:31 -1102.509003 15.011444 BFGS: 1164 20:06:31 -1102.509003 15.011445 BFGS: 1165 20:06:33 -1102.509003 15.011476 BFGS: 1166 20:06:34 -1102.509003 15.011520 BFGS: 1167 20:06:35 -1102.509003 15.011612 BFGS: 1168 20:06:36 -1102.509003 15.011756 BFGS: 1169 20:06:36 -1102.509003 15.011996 BFGS: 1170 20:06:37 -1102.509004 15.012384 BFGS: 1171 20:06:38 -1102.509004 15.013014 BFGS: 1172 20:06:39 -1102.509006 15.014033 BFGS: 1173 20:06:40 -1102.509010 15.015680 BFGS: 1174 20:06:41 -1102.509022 15.018340 BFGS: 1175 20:06:42 -1102.509052 15.022625 BFGS: 1176 20:06:43 -1102.509132 15.029512 BFGS: 1177 20:06:43 -1102.509340 15.040528 BFGS: 1178 20:06:44 -1102.509885 15.058013 BFGS: 1179 20:06:45 -1102.511314 15.085400 BFGS: 1180 20:06:46 -1102.515063 15.127322 BFGS: 1181 20:06:47 -1102.524971 15.187004 BFGS: 1182 20:06:48 -1102.546513 15.275993 BFGS: 1183 20:06:49 -1102.583171 15.330786 BFGS: 1184 20:06:50 -1102.640146 15.356603 BFGS: 1185 20:06:51 -1102.720781 15.350280 BFGS: 1186 20:06:52 -1102.827401 15.353540 BFGS: 1187 20:06:53 -1102.957480 15.277315 BFGS: 1188 20:06:54 -1103.117069 15.179469 BFGS: 1189 20:06:55 -1103.306120 15.047576 BFGS: 1190 20:06:56 -1103.523765 14.842743 BFGS: 1191 20:06:57 -1103.774069 14.623114 BFGS: 1192 20:06:58 -1104.051200 14.373554 BFGS: 1193 20:06:59 -1104.359120 14.051734 BFGS: 1194 20:07:00 -1104.698254 13.684342 BFGS: 1195 20:07:01 -1105.065899 13.278152 BFGS: 1196 20:07:02 -1105.457071 12.866365 BFGS: 1197 20:07:02 -1105.867067 12.347968 BFGS: 1198 20:07:02 -1106.310145 11.794613 BFGS: 1199 20:07:03 -1106.774438 11.159253 BFGS: 1200 20:07:04 -1107.253645 10.457444 BFGS: 1201 20:07:05 -1107.745478 9.692288 BFGS: 1202 20:07:06 -1108.242514 8.857915 BFGS: 1203 20:07:08 -1108.737976 7.971200 BFGS: 1204 20:07:09 -1109.219500 6.995287 BFGS: 1205 20:07:10 -1109.681094 5.939521 BFGS: 1206 20:07:11 -1110.117953 4.796636 BFGS: 1207 20:07:12 -1110.508897 3.541560 BFGS: 1208 20:07:14 -1110.838115 2.128439 BFGS: 1209 20:07:15 -1111.061870 1.097830 BFGS: 1210 20:07:16 -1111.124181 1.094518 BFGS: 1211 20:07:18 -1111.143245 0.896344 BFGS: 1212 20:07:19 -1111.164727 0.380420 BFGS: 1213 20:07:19 -1111.174166 0.319126 BFGS: 1214 20:07:20 -1111.175506 0.204754 BFGS: 1215 20:07:21 -1111.175789 0.062251 BFGS: 1216 20:07:22 -1111.175816 0.015553 BFGS: 1217 20:07:23 -1111.175820 0.002337 BFGS: 1218 20:07:24 -1111.175820 0.000818 BFGS: 1219 20:07:24 -1111.175820 0.000305 BFGS: 1220 20:07:25 -1111.175820 0.000026 BFGS: 1221 20:07:25 -1111.175820 0.000009 BFGS: 1222 20:07:26 -1111.175820 0.000003 BFGS: 1223 20:07:27 -1111.175820 0.000001 BFGS: 1224 20:07:28 -1111.175820 0.000000 BFGS: 1225 20:07:30 -1111.175820 0.000000 BFGS: 1226 20:07:31 -1111.175820 0.000000 BFGS: 1227 20:07:32 -1111.175820 0.000000 Minimization converged after 1227 steps. Maximum force component: 1.598365797857615e-08 eV/Angstrom Maximum stress component: 2.5866863570747045e-09 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['B', 'B', 'B', 'B', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N'] basis = [[5.54051526e-30 1.06526006e-01 8.89744167e-01] [0.00000000e+00 8.93473994e-01 3.89744167e-01] [5.00000000e-01 6.06526006e-01 8.89744167e-01] [5.00000000e-01 3.93473994e-01 3.89744167e-01] [0.00000000e+00 6.92711281e-01 9.94100804e-01] [9.99719014e-31 3.07288719e-01 4.94100804e-01] [5.00000000e-01 1.92711281e-01 9.94100804e-01] [5.00000000e-01 8.07288719e-01 4.94100804e-01] [0.00000000e+00 7.26836947e-01 7.16917527e-01] [1.76800411e-34 2.73163053e-01 2.16917527e-01] [5.00000000e-01 2.26836947e-01 7.16917527e-01] [5.00000000e-01 7.73163053e-01 2.16917527e-01] [2.20425148e-01 2.63576971e-01 6.63706254e-01] [7.79574852e-01 7.36423029e-01 1.63706254e-01] [2.20425148e-01 7.36423029e-01 1.63706254e-01] [7.79574852e-01 2.63576971e-01 6.63706254e-01] [7.20425148e-01 7.63576971e-01 6.63706254e-01] [2.79574852e-01 2.36423029e-01 1.63706254e-01] [7.20425148e-01 2.36423029e-01 1.63706254e-01] [2.79574852e-01 7.63576971e-01 6.63706254e-01] [8.55683348e-01 7.86976503e-01 9.16439674e-01] [1.44316652e-01 2.13023497e-01 4.16439674e-01] [8.55683348e-01 2.13023497e-01 4.16439674e-01] [1.44316652e-01 7.86976503e-01 9.16439674e-01] [3.55683348e-01 2.86976503e-01 9.16439674e-01] [6.44316652e-01 7.13023497e-01 4.16439674e-01] [3.55683348e-01 7.13023497e-01 4.16439674e-01] [6.44316652e-01 2.86976503e-01 9.16439674e-01] [4.11987122e-35 5.93621363e-01 3.95656155e-01] [0.00000000e+00 4.06378637e-01 8.95656155e-01] [5.00000000e-01 9.36213629e-02 3.95656155e-01] [5.00000000e-01 9.06378637e-01 8.95656155e-01]] cellpar = Cell([2.0749837536071323, 5.367072181231624, 2.0892015418122853]) forces = [[ 0.00000000e+00 5.17382056e-09 3.25475964e-09] [ 0.00000000e+00 -5.17382056e-09 3.25475964e-09] [ 0.00000000e+00 5.17382056e-09 3.25475964e-09] [ 0.00000000e+00 -5.17382056e-09 3.25475964e-09] [ 0.00000000e+00 -3.64975844e-09 -4.62239966e-09] [ 0.00000000e+00 3.64975844e-09 -4.62239966e-09] [ 0.00000000e+00 -3.64975844e-09 -4.62239966e-09] [ 0.00000000e+00 3.64975844e-09 -4.62239966e-09] [ 0.00000000e+00 -1.08162727e-08 5.56359005e-09] [ 0.00000000e+00 1.08162727e-08 5.56359005e-09] [-1.30949885e-29 -1.08162727e-08 5.56359005e-09] [ 1.30949885e-29 1.08162727e-08 5.56359005e-09] [-2.76343288e-09 -5.76954186e-09 -1.32854678e-08] [ 2.76343288e-09 5.76954186e-09 -1.32854678e-08] [-2.76343288e-09 5.76954186e-09 -1.32854678e-08] [ 2.76343288e-09 -5.76954186e-09 -1.32854678e-08] [-2.76343288e-09 -5.76954186e-09 -1.32854678e-08] [ 2.76343288e-09 5.76954186e-09 -1.32854678e-08] [-2.76343288e-09 5.76954186e-09 -1.32854678e-08] [ 2.76343288e-09 -5.76954186e-09 -1.32854678e-08] [ 9.02696283e-09 -5.30306182e-09 3.19566301e-09] [-9.02696283e-09 5.30306182e-09 3.19566301e-09] [ 9.02696283e-09 5.30306182e-09 3.19566301e-09] [-9.02696283e-09 -5.30306182e-09 3.19566301e-09] [ 9.02696283e-09 -5.30306182e-09 3.19566301e-09] [-9.02696283e-09 5.30306182e-09 3.19566301e-09] [ 9.02696283e-09 5.30306182e-09 3.19566301e-09] [-9.02696283e-09 -5.30306182e-09 3.19566301e-09] [ 0.00000000e+00 6.61413308e-09 1.59836580e-08] [ 0.00000000e+00 -6.61413308e-09 1.59836580e-08] [ 0.00000000e+00 6.61413308e-09 1.59836580e-08] [ 0.00000000e+00 -6.61413308e-09 1.59836580e-08]] stress = [-1.38073610e-09 2.58668636e-09 1.37579673e-09 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -34.724244373302696 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['B', 'H', 'H', 'H', 'H', 'N'] representative atom coordinates = [[0. 0.15782677 0.29620694] [0. 0.26337237 0.46394589] [0. 0.21136896 0.9308752 ] [0.84404595 0.05406375 0.28869512] [0.37149701 0.88547934 0.06753691] [0. 0.2959247 0.07620791]] spacegroup = 36 cell = [[6.4412, 0, 0], [0, 6.7454, 0], [0, 0, 5.9201]] ========================================= Step Time Energy fmax BFGS: 0 20:07:39 -146.749169 7.351687 BFGS: 1 20:07:40 -149.012158 25.322955 BFGS: 2 20:07:40 -148.636714 11.304384 BFGS: 3 20:07:40 -146.074879 35.577355 BFGS: 4 20:07:41 -149.880359 8.749941 BFGS: 5 20:07:41 -150.592795 7.343514 BFGS: 6 20:07:41 -148.072084 22.149002 BFGS: 7 20:07:42 -151.094019 3.212129 BFGS: 8 20:07:42 -149.861134 14.718576 BFGS: 9 20:07:43 -151.235215 1.160655 BFGS: 10 20:07:45 -151.274295 0.475054 BFGS: 11 20:07:45 -151.390771 2.119431 BFGS: 12 20:07:45 -151.553156 4.038757 BFGS: 13 20:07:45 -151.735181 5.493876 BFGS: 14 20:07:46 -151.404618 8.305671 BFGS: 15 20:07:47 -152.265840 1.782708 BFGS: 16 20:07:47 -152.648974 0.815143 BFGS: 17 20:07:47 -152.954078 2.319805 BFGS: 18 20:07:47 -153.223562 3.585161 BFGS: 19 20:07:47 -153.476914 4.614223 BFGS: 20 20:07:48 -153.732712 5.441044 BFGS: 21 20:07:49 -154.011672 6.105850 BFGS: 22 20:07:49 -154.323626 6.652418 BFGS: 23 20:07:51 -154.673496 7.114462 BFGS: 24 20:07:52 -155.058979 7.516864 BFGS: 25 20:07:52 -155.475730 7.878876 BFGS: 26 20:07:52 -155.922489 8.216667 BFGS: 27 20:07:52 -156.393208 8.540194 BFGS: 28 20:07:52 -156.886188 8.856662 BFGS: 29 20:07:52 -157.395435 9.165655 BFGS: 30 20:07:52 -157.912309 9.462419 BFGS: 31 20:07:52 -158.433436 9.743052 BFGS: 32 20:07:53 -158.951749 9.991839 BFGS: 33 20:07:54 -159.516664 10.264284 BFGS: 34 20:07:54 -160.221551 10.580236 BFGS: 35 20:07:55 -161.285436 11.027394 BFGS: 36 20:07:56 -162.973090 11.853520 BFGS: 37 20:07:57 -165.417662 13.336854 BFGS: 38 20:07:57 -168.944392 15.707163 BFGS: 39 20:07:57 -173.732995 18.605393 BFGS: 40 20:07:58 -179.595607 19.682829 BFGS: 41 20:07:59 -184.564829 12.938569 BFGS: 42 20:07:59 -186.072159 20.675063 BFGS: 43 20:08:00 -187.376470 22.847498 BFGS: 44 20:08:00 -188.714679 24.316812 BFGS: 45 20:08:01 -190.054989 25.658145 BFGS: 46 20:08:02 -191.387792 26.893694 BFGS: 47 20:08:03 -192.711549 28.033424 BFGS: 48 20:08:04 -194.026137 29.063108 BFGS: 49 20:08:05 -195.336150 29.956526 BFGS: 50 20:08:05 -196.647965 30.763610 BFGS: 51 20:08:06 -197.963313 31.413328 BFGS: 52 20:08:06 -199.273879 31.817184 BFGS: 53 20:08:07 -200.572546 31.822539 BFGS: 54 20:08:08 -201.827054 31.743675 BFGS: 55 20:08:08 -203.047880 30.883783 BFGS: 56 20:08:09 -204.150161 33.434308 BFGS: 57 20:08:10 -205.233136 32.447083 BFGS: 58 20:08:10 -206.163466 33.864307 BFGS: 59 20:08:11 -207.084420 32.643001 BFGS: 60 20:08:12 -207.946491 32.121052 BFGS: 61 20:08:12 -208.802845 31.048629 BFGS: 62 20:08:13 -209.620536 30.163133 BFGS: 63 20:08:13 -210.396440 29.268870 BFGS: 64 20:08:14 -211.131807 28.485952 BFGS: 65 20:08:15 -211.844376 27.766882 BFGS: 66 20:08:15 -212.542869 27.165067 BFGS: 67 20:08:16 -213.238057 26.608604 BFGS: 68 20:08:17 -213.931188 26.144219 BFGS: 69 20:08:18 -214.624848 25.730643 BFGS: 70 20:08:19 -215.322403 25.305190 BFGS: 71 20:08:20 -216.030522 24.912981 BFGS: 72 20:08:21 -216.755073 24.543217 BFGS: 73 20:08:21 -217.500175 24.249892 BFGS: 74 20:08:22 -218.277602 24.026796 BFGS: 75 20:08:22 -219.100208 23.911371 BFGS: 76 20:08:23 -219.990427 23.911822 BFGS: 77 20:08:23 -220.974734 24.076739 BFGS: 78 20:08:24 -222.096626 24.382241 BFGS: 79 20:08:25 -223.402766 24.908601 BFGS: 80 20:08:26 -224.983779 25.525452 BFGS: 81 20:08:26 -226.905934 26.451866 BFGS: 82 20:08:27 -229.354106 26.992230 BFGS: 83 20:08:27 -231.825833 27.359057 BFGS: 84 20:08:28 -234.208491 30.729133 BFGS: 85 20:08:29 -236.285178 34.596266 BFGS: 86 20:08:30 -238.046896 37.166557 BFGS: 87 20:08:30 -239.616618 38.942519 BFGS: 88 20:08:31 -241.104727 40.365038 BFGS: 89 20:08:32 -242.576591 41.634270 BFGS: 90 20:08:33 -244.065625 42.854738 BFGS: 91 20:08:34 -245.586104 44.086536 BFGS: 92 20:08:34 -247.139669 45.390645 BFGS: 93 20:08:35 -248.726883 46.736497 BFGS: 94 20:08:35 -250.337988 48.150005 BFGS: 95 20:08:36 -251.965766 49.579390 BFGS: 96 20:08:37 -253.589412 50.916005 BFGS: 97 20:08:38 -255.187854 52.017760 BFGS: 98 20:08:39 -256.726821 52.674681 BFGS: 99 20:08:40 -258.245177 52.845662 BFGS: 100 20:08:41 -259.712976 52.436029 BFGS: 101 20:08:42 -261.190104 51.819009 BFGS: 102 20:08:43 -262.606619 50.959296 BFGS: 103 20:08:43 -264.044280 50.191159 BFGS: 104 20:08:44 -265.385642 49.302798 BFGS: 105 20:08:44 -266.772886 48.592601 BFGS: 106 20:08:45 -268.056807 47.798047 BFGS: 107 20:08:46 -269.364854 47.111744 BFGS: 108 20:08:46 -270.616583 46.418613 BFGS: 109 20:08:46 -271.866013 45.759578 BFGS: 110 20:08:47 -273.087493 45.129826 BFGS: 111 20:08:47 -274.299748 44.488843 BFGS: 112 20:08:48 -275.497231 43.871956 BFGS: 113 20:08:49 -276.688203 43.264280 BFGS: 114 20:08:51 -277.872788 42.667017 BFGS: 115 20:08:52 -279.053665 42.077861 BFGS: 116 20:08:53 -280.234460 41.490755 BFGS: 117 20:08:54 -281.416359 40.903789 BFGS: 118 20:08:55 -282.600853 40.309648 BFGS: 119 20:08:55 -283.788708 39.704917 BFGS: 120 20:08:56 -284.979973 39.083445 BFGS: 121 20:08:57 -286.173731 38.437502 BFGS: 122 20:08:58 -287.367990 37.757760 BFGS: 123 20:08:58 -288.559597 37.033929 BFGS: 124 20:08:59 -289.744617 36.255272 BFGS: 125 20:09:00 -290.917769 35.412553 BFGS: 126 20:09:01 -292.073541 34.497651 BFGS: 127 20:09:02 -293.207116 33.501485 BFGS: 128 20:09:02 -294.312961 32.428452 BFGS: 129 20:09:03 -295.387817 31.273543 BFGS: 130 20:09:03 -296.427507 30.054473 BFGS: 131 20:09:04 -297.431278 28.765209 BFGS: 132 20:09:04 -298.395812 27.442739 BFGS: 133 20:09:05 -299.323437 26.060467 BFGS: 134 20:09:05 -300.209565 24.698206 BFGS: 135 20:09:06 -301.061754 23.252065 BFGS: 136 20:09:06 -301.868714 21.943347 BFGS: 137 20:09:07 -302.651364 22.885348 BFGS: 138 20:09:07 -303.376880 23.353330 BFGS: 139 20:09:08 -304.096839 24.611783 BFGS: 140 20:09:08 -304.751204 24.914932 BFGS: 141 20:09:09 -305.396531 25.897808 BFGS: 142 20:09:09 -305.998455 26.385142 BFGS: 143 20:09:10 -306.580026 27.065900 BFGS: 144 20:09:11 -307.133088 27.566750 BFGS: 145 20:09:11 -307.654738 28.076182 BFGS: 146 20:09:11 -308.144982 28.483165 BFGS: 147 20:09:11 -308.610266 28.872705 BFGS: 148 20:09:11 -309.054135 29.203760 BFGS: 149 20:09:11 -309.481544 29.507130 BFGS: 150 20:09:11 -309.896598 29.780377 BFGS: 151 20:09:11 -310.300708 30.025384 BFGS: 152 20:09:11 -310.697484 30.265043 BFGS: 153 20:09:11 -311.090306 30.499428 BFGS: 154 20:09:12 -311.481080 30.734350 BFGS: 155 20:09:12 -311.871869 30.972656 BFGS: 156 20:09:12 -312.264284 31.212398 BFGS: 157 20:09:13 -312.659283 31.466958 BFGS: 158 20:09:13 -313.057930 31.728989 BFGS: 159 20:09:14 -313.459529 32.001661 BFGS: 160 20:09:14 -313.864144 32.273186 BFGS: 161 20:09:15 -314.247891 32.276867 BFGS: 162 20:09:15 -314.894152 33.017813 BFGS: 163 20:09:16 -315.821130 34.131021 BFGS: 164 20:09:17 -316.890318 35.020422 BFGS: 165 20:09:17 -318.066928 35.708213 BFGS: 166 20:09:18 -319.359633 36.334864 BFGS: 167 20:09:18 -320.742474 36.902511 BFGS: 168 20:09:19 -322.193253 37.380835 BFGS: 169 20:09:19 -323.694398 37.722174 BFGS: 170 20:09:20 -325.493985 38.068191 BFGS: 171 20:09:20 -327.115423 38.032620 BFGS: 172 20:09:20 -328.593712 37.695644 BFGS: 173 20:09:21 -329.946941 37.137982 BFGS: 174 20:09:21 -331.192961 36.409442 BFGS: 175 20:09:21 -332.349470 35.563350 BFGS: 176 20:09:22 -333.431954 34.643223 BFGS: 177 20:09:22 -334.452531 33.688591 BFGS: 178 20:09:23 -335.422265 32.722010 BFGS: 179 20:09:23 -336.348211 31.764383 BFGS: 180 20:09:24 -337.236159 30.834751 BFGS: 181 20:09:24 -338.090767 29.940680 BFGS: 182 20:09:25 -338.915857 29.093149 BFGS: 183 20:09:25 -339.714921 28.288236 BFGS: 184 20:09:26 -340.490189 27.534652 BFGS: 185 20:09:27 -341.243775 26.831489 BFGS: 186 20:09:27 -341.977827 26.178095 BFGS: 187 20:09:28 -342.694389 25.570339 BFGS: 188 20:09:29 -343.395476 25.020935 BFGS: 189 20:09:29 -344.083402 24.507742 BFGS: 190 20:09:30 -344.759359 24.035107 BFGS: 191 20:09:31 -345.425674 23.602018 BFGS: 192 20:09:32 -346.083477 23.200626 BFGS: 193 20:09:34 -346.734876 22.834093 BFGS: 194 20:09:34 -347.381866 22.494861 BFGS: 195 20:09:35 -348.026501 22.185185 BFGS: 196 20:09:36 -348.663739 21.900602 BFGS: 197 20:09:37 -349.291492 21.643754 BFGS: 198 20:09:37 -349.914294 21.402155 BFGS: 199 20:09:39 -350.538299 21.181660 BFGS: 200 20:09:40 -351.167917 20.969566 BFGS: 201 20:09:41 -351.810275 20.772883 BFGS: 202 20:09:42 -352.469165 20.578827 BFGS: 203 20:09:43 -353.150948 20.398085 BFGS: 204 20:09:43 -353.861869 20.213070 BFGS: 205 20:09:45 -354.608973 20.030445 BFGS: 206 20:09:45 -355.400850 19.835003 BFGS: 207 20:09:46 -356.247671 19.634450 BFGS: 208 20:09:47 -357.162147 19.408095 BFGS: 209 20:09:48 -358.160340 19.170395 BFGS: 210 20:09:48 -359.263502 18.895196 BFGS: 211 20:09:48 -360.498879 18.582095 BFGS: 212 20:09:49 -361.906641 18.201688 BFGS: 213 20:09:49 -363.543737 18.286262 BFGS: 214 20:09:50 -365.494743 19.012386 BFGS: 215 20:09:51 -367.887166 19.810060 BFGS: 216 20:09:51 -370.908151 20.728394 BFGS: 217 20:09:52 -374.835394 21.750278 BFGS: 218 20:09:53 -380.046788 22.888362 BFGS: 219 20:09:54 -386.938286 24.013637 BFGS: 220 20:09:54 -395.399408 24.779116 BFGS: 221 20:09:55 -403.074660 23.279849 BFGS: 222 20:09:56 -407.410604 20.142907 BFGS: 223 20:09:57 -410.057956 18.193560 BFGS: 224 20:09:58 -411.967385 16.208994 BFGS: 225 20:09:58 -413.520493 13.786069 BFGS: 226 20:09:59 -414.775753 14.803341 BFGS: 227 20:09:59 -415.822722 19.316026 BFGS: 228 20:10:00 -416.765961 18.899758 BFGS: 229 20:10:01 -417.580644 20.507371 BFGS: 230 20:10:02 -418.383728 22.168877 BFGS: 231 20:10:03 -419.158020 22.625389 BFGS: 232 20:10:04 -419.931956 22.796839 BFGS: 233 20:10:04 -420.685306 22.235375 BFGS: 234 20:10:05 -421.420659 21.368172 BFGS: 235 20:10:05 -422.125985 19.916690 BFGS: 236 20:10:06 -422.797202 18.114637 BFGS: 237 20:10:06 -423.430102 15.722927 BFGS: 238 20:10:07 -423.900997 14.101438 BFGS: 239 20:10:08 -424.271525 13.334172 BFGS: 240 20:10:10 -424.598890 12.362757 BFGS: 241 20:10:10 -424.910372 11.445666 BFGS: 242 20:10:12 -425.209569 11.357431 BFGS: 243 20:10:12 -425.493652 11.517700 BFGS: 244 20:10:13 -425.768087 11.809982 BFGS: 245 20:10:13 -426.036536 12.173789 BFGS: 246 20:10:14 -426.301586 12.565995 BFGS: 247 20:10:14 -426.565180 12.958747 BFGS: 248 20:10:15 -426.827617 13.356929 BFGS: 249 20:10:16 -427.090805 13.746581 BFGS: 250 20:10:16 -427.354822 14.127671 BFGS: 251 20:10:17 -427.620723 14.497341 BFGS: 252 20:10:18 -427.887601 14.856712 BFGS: 253 20:10:19 -428.156272 15.205100 BFGS: 254 20:10:19 -428.426669 15.542742 BFGS: 255 20:10:20 -428.698727 15.870251 BFGS: 256 20:10:20 -428.972434 16.188122 BFGS: 257 20:10:21 -429.247528 16.496603 BFGS: 258 20:10:21 -429.524009 16.796688 BFGS: 259 20:10:22 -429.801253 17.091120 BFGS: 260 20:10:23 -430.079631 17.377212 BFGS: 261 20:10:24 -430.359429 17.652003 BFGS: 262 20:10:24 -430.640546 17.919901 BFGS: 263 20:10:25 -430.925393 18.154355 BFGS: 264 20:10:26 -431.210075 18.389771 BFGS: 265 20:10:27 -431.494613 18.621116 BFGS: 266 20:10:28 -431.778957 18.847227 BFGS: 267 20:10:28 -432.063168 19.067341 BFGS: 268 20:10:29 -432.347622 19.285993 BFGS: 269 20:10:29 -432.631317 19.495614 BFGS: 270 20:10:29 -432.914547 19.700254 BFGS: 271 20:10:30 -433.197345 19.896756 BFGS: 272 20:10:30 -433.479531 20.086158 BFGS: 273 20:10:31 -433.760994 20.268332 BFGS: 274 20:10:31 -434.041301 20.445690 BFGS: 275 20:10:32 -434.320273 20.617449 BFGS: 276 20:10:32 -434.598420 20.786712 BFGS: 277 20:10:33 -434.874813 20.942309 BFGS: 278 20:10:33 -435.150182 21.090307 BFGS: 279 20:10:34 -435.423724 21.235504 BFGS: 280 20:10:34 -435.696059 21.370009 BFGS: 281 20:10:35 -435.966938 21.498252 BFGS: 282 20:10:35 -436.236283 21.619488 BFGS: 283 20:10:36 -436.503904 21.735128 BFGS: 284 20:10:37 -436.769985 21.844058 BFGS: 285 20:10:37 -437.034183 21.950071 BFGS: 286 20:10:38 -437.296718 22.048190 BFGS: 287 20:10:38 -437.557736 22.140295 BFGS: 288 20:10:39 -437.816642 22.230097 BFGS: 289 20:10:39 -438.072837 22.321892 BFGS: 290 20:10:40 -438.327681 22.402903 BFGS: 291 20:10:40 -438.581091 22.478490 BFGS: 292 20:10:41 -438.833077 22.548607 BFGS: 293 20:10:41 -439.083319 22.616369 BFGS: 294 20:10:42 -439.332180 22.679301 BFGS: 295 20:10:43 -439.579682 22.738446 BFGS: 296 20:10:44 -439.825868 22.794186 BFGS: 297 20:10:44 -440.070922 22.846932 BFGS: 298 20:10:45 -440.314696 22.901188 BFGS: 299 20:10:45 -440.557166 22.951061 BFGS: 300 20:10:46 -440.798781 22.998190 BFGS: 301 20:10:47 -441.039566 23.042608 BFGS: 302 20:10:48 -441.279587 23.085044 BFGS: 303 20:10:49 -441.518922 23.125740 BFGS: 304 20:10:49 -441.757657 23.164969 BFGS: 305 20:10:50 -441.995887 23.202944 BFGS: 306 20:10:51 -442.233709 23.239867 BFGS: 307 20:10:52 -442.471221 23.275933 BFGS: 308 20:10:52 -442.708525 23.311347 BFGS: 309 20:10:53 -442.945745 23.346354 BFGS: 310 20:10:53 -443.183018 23.383817 BFGS: 311 20:10:54 -443.420705 23.415956 BFGS: 312 20:10:55 -443.659615 23.439464 BFGS: 313 20:10:56 -443.900247 23.449117 BFGS: 314 20:10:56 -444.142846 23.458449 BFGS: 315 20:10:56 -444.388284 23.461594 BFGS: 316 20:10:57 -444.638478 23.453859 BFGS: 317 20:10:57 -444.891995 23.446013 BFGS: 318 20:10:58 -445.149134 23.432888 BFGS: 319 20:10:59 -445.410155 23.415061 BFGS: 320 20:11:00 -445.675265 23.391852 BFGS: 321 20:11:00 -445.944643 23.363100 BFGS: 322 20:11:01 -446.218439 23.328596 BFGS: 323 20:11:02 -446.496786 23.288228 BFGS: 324 20:11:03 -446.780058 23.241923 BFGS: 325 20:11:03 -447.069556 23.183998 BFGS: 326 20:11:04 -447.364364 23.125442 BFGS: 327 20:11:05 -447.663983 23.058274 BFGS: 328 20:11:06 -447.968570 23.006305 BFGS: 329 20:11:06 -448.278764 22.976646 BFGS: 330 20:11:07 -448.595006 22.929849 BFGS: 331 20:11:08 -448.916336 22.876212 BFGS: 332 20:11:09 -449.242911 22.815542 BFGS: 333 20:11:09 -449.574801 22.748211 BFGS: 334 20:11:10 -449.912087 22.674808 BFGS: 335 20:11:11 -450.254891 22.596829 BFGS: 336 20:11:11 -450.603304 22.510071 BFGS: 337 20:11:12 -450.957257 22.423759 BFGS: 338 20:11:12 -451.316772 22.332322 BFGS: 339 20:11:13 -451.682068 22.238685 BFGS: 340 20:11:13 -452.054540 22.139102 BFGS: 341 20:11:14 -452.432847 22.035782 BFGS: 342 20:11:15 -452.817581 21.927662 BFGS: 343 20:11:16 -453.208336 21.820797 BFGS: 344 20:11:18 -453.605149 21.710387 BFGS: 345 20:11:18 -454.007732 21.598252 BFGS: 346 20:11:20 -454.416254 21.484502 BFGS: 347 20:11:20 -454.830826 21.373929 BFGS: 348 20:11:21 -455.251301 21.259789 BFGS: 349 20:11:21 -455.677897 21.146581 BFGS: 350 20:11:21 -456.110890 21.030486 BFGS: 351 20:11:21 -456.550319 20.914273 BFGS: 352 20:11:21 -456.996779 20.799799 BFGS: 353 20:11:21 -457.449455 20.684056 BFGS: 354 20:11:22 -457.908243 20.566476 BFGS: 355 20:11:22 -458.373309 20.448480 BFGS: 356 20:11:22 -458.845323 20.330588 BFGS: 357 20:11:22 -459.323540 20.213448 BFGS: 358 20:11:23 -459.808035 20.096355 BFGS: 359 20:11:24 -460.298937 19.975399 BFGS: 360 20:11:24 -460.796439 19.859244 BFGS: 361 20:11:24 -461.300763 19.743231 BFGS: 362 20:11:26 -461.811927 19.631929 BFGS: 363 20:11:26 -462.330147 19.520582 BFGS: 364 20:11:27 -462.855360 19.408248 BFGS: 365 20:11:28 -463.388109 19.294998 BFGS: 366 20:11:29 -463.927725 19.182812 BFGS: 367 20:11:30 -464.474366 19.070158 BFGS: 368 20:11:31 -465.028000 18.956881 BFGS: 369 20:11:31 -465.588789 18.844105 BFGS: 370 20:11:32 -466.156874 18.731151 BFGS: 371 20:11:33 -466.732462 18.619122 BFGS: 372 20:11:33 -467.315488 18.506848 BFGS: 373 20:11:34 -467.906080 18.394742 BFGS: 374 20:11:35 -468.504415 18.281024 BFGS: 375 20:11:35 -469.111383 18.169007 BFGS: 376 20:11:36 -469.726722 18.054786 BFGS: 377 20:11:36 -470.350144 17.941789 BFGS: 378 20:11:37 -470.982490 17.828763 BFGS: 379 20:11:38 -471.624083 17.707033 BFGS: 380 20:11:38 -472.275025 17.590682 BFGS: 381 20:11:39 -472.934596 17.471691 BFGS: 382 20:11:39 -473.603575 17.358810 BFGS: 383 20:11:40 -474.281513 17.244498 BFGS: 384 20:11:41 -474.969172 17.131586 BFGS: 385 20:11:42 -475.666278 17.018165 BFGS: 386 20:11:43 -476.375262 16.899766 BFGS: 387 20:11:44 -477.093966 16.780696 BFGS: 388 20:11:44 -477.822964 16.663648 BFGS: 389 20:11:45 -478.562405 16.544707 BFGS: 390 20:11:46 -479.312552 16.426840 BFGS: 391 20:11:46 -480.073463 16.307417 BFGS: 392 20:11:47 -480.846034 16.188861 BFGS: 393 20:11:47 -481.629680 16.069843 BFGS: 394 20:11:48 -482.425480 15.950483 BFGS: 395 20:11:48 -483.233121 15.829738 BFGS: 396 20:11:48 -484.054000 15.712412 BFGS: 397 20:11:49 -484.887123 15.591284 BFGS: 398 20:11:49 -485.733595 15.473612 BFGS: 399 20:11:50 -486.592653 15.347679 BFGS: 400 20:11:51 -487.465840 15.228161 BFGS: 401 20:11:51 -488.352194 15.104622 BFGS: 402 20:11:52 -489.253921 14.986251 BFGS: 403 20:11:53 -490.169034 14.852517 BFGS: 404 20:11:54 -491.100429 14.733262 BFGS: 405 20:11:55 -492.045304 14.595073 BFGS: 406 20:11:57 -493.008252 14.479236 BFGS: 407 20:11:58 -493.984516 14.327425 BFGS: 408 20:11:59 -494.982434 14.225284 BFGS: 409 20:12:00 -495.990164 14.030517 BFGS: 410 20:12:01 -497.027586 14.195856 BFGS: 411 20:12:01 -498.060936 14.169897 BFGS: 412 20:12:02 -499.127624 14.001644 BFGS: 413 20:12:03 -500.210017 13.866600 BFGS: 414 20:12:04 -501.315991 13.710871 BFGS: 415 20:12:04 -502.441236 13.555540 BFGS: 416 20:12:04 -503.588581 13.398821 BFGS: 417 20:12:05 -504.756551 13.242399 BFGS: 418 20:12:05 -505.946096 13.081373 BFGS: 419 20:12:06 -507.157838 12.926051 BFGS: 420 20:12:07 -508.393081 12.773785 BFGS: 421 20:12:07 -509.651640 12.615998 BFGS: 422 20:12:08 -510.936310 12.590608 BFGS: 423 20:12:09 -512.244280 12.815922 BFGS: 424 20:12:09 -513.577366 13.029995 BFGS: 425 20:12:10 -514.936400 13.254345 BFGS: 426 20:12:11 -516.320791 13.473459 BFGS: 427 20:12:12 -517.731931 13.702526 BFGS: 428 20:12:13 -519.170913 13.927228 BFGS: 429 20:12:13 -520.637621 14.155125 BFGS: 430 20:12:14 -522.133144 14.398067 BFGS: 431 20:12:15 -523.658434 14.651582 BFGS: 432 20:12:15 -525.213749 14.889031 BFGS: 433 20:12:16 -526.799653 15.128794 BFGS: 434 20:12:17 -528.416820 15.371467 BFGS: 435 20:12:18 -530.066136 15.625629 BFGS: 436 20:12:18 -531.747765 15.878497 BFGS: 437 20:12:19 -533.462843 16.129002 BFGS: 438 20:12:20 -535.212410 16.394576 BFGS: 439 20:12:21 -536.996459 16.653388 BFGS: 440 20:12:22 -538.817352 16.916199 BFGS: 441 20:12:23 -540.677757 17.172609 BFGS: 442 20:12:24 -542.576623 17.442432 BFGS: 443 20:12:25 -544.517138 17.734487 BFGS: 444 20:12:27 -546.494575 18.013453 BFGS: 445 20:12:28 -548.513878 18.274681 BFGS: 446 20:12:29 -550.575096 18.549079 BFGS: 447 20:12:30 -552.679007 18.818896 BFGS: 448 20:12:30 -554.828352 19.081884 BFGS: 449 20:12:31 -557.022664 19.343440 BFGS: 450 20:12:32 -559.262652 19.604124 BFGS: 451 20:12:33 -561.549694 19.862812 BFGS: 452 20:12:33 -563.885499 20.121347 BFGS: 453 20:12:34 -566.271005 20.391158 BFGS: 454 20:12:35 -568.703994 20.642142 BFGS: 455 20:12:36 -571.188958 20.892835 BFGS: 456 20:12:36 -573.727250 21.135284 BFGS: 457 20:12:38 -576.319020 21.382039 BFGS: 458 20:12:38 -578.962777 21.634113 BFGS: 459 20:12:39 -581.658575 21.870272 BFGS: 460 20:12:39 -584.410077 22.100053 BFGS: 461 20:12:40 -587.216519 22.313042 BFGS: 462 20:12:40 -590.079935 22.516522 BFGS: 463 20:12:41 -593.006552 22.712003 BFGS: 464 20:12:42 -595.987607 22.901481 BFGS: 465 20:12:43 -599.019469 23.077742 BFGS: 466 20:12:44 -602.100225 23.229625 BFGS: 467 20:12:45 -605.228256 23.364973 BFGS: 468 20:12:45 -608.395282 23.482144 BFGS: 469 20:12:46 -611.598197 23.576121 BFGS: 470 20:12:47 -614.834526 23.671248 BFGS: 471 20:12:48 -618.087097 23.742533 BFGS: 472 20:12:48 -621.351606 23.780844 BFGS: 473 20:12:49 -624.607612 23.776220 BFGS: 474 20:12:51 -627.842546 23.772048 BFGS: 475 20:12:52 -631.031173 23.717002 BFGS: 476 20:12:52 -634.166291 23.645802 BFGS: 477 20:12:53 -637.228122 23.524473 BFGS: 478 20:12:54 -640.211729 23.377563 BFGS: 479 20:12:54 -643.107548 23.184229 BFGS: 480 20:12:55 -645.918614 23.011167 BFGS: 481 20:12:56 -648.631037 22.754092 BFGS: 482 20:12:57 -651.251866 22.446704 BFGS: 483 20:12:57 -653.780361 22.091649 BFGS: 484 20:12:58 -656.223708 21.710800 BFGS: 485 20:12:59 -658.577500 21.252907 BFGS: 486 20:12:59 -660.851577 20.745122 BFGS: 487 20:13:01 -663.046613 20.179822 BFGS: 488 20:13:02 -665.173225 19.555225 BFGS: 489 20:13:03 -667.227674 18.865673 BFGS: 490 20:13:03 -669.215183 18.095299 BFGS: 491 20:13:04 -671.133808 17.262870 BFGS: 492 20:13:05 -672.995804 16.362473 BFGS: 493 20:13:06 -674.787829 15.686829 BFGS: 494 20:13:08 -676.520801 16.193463 BFGS: 495 20:13:10 -678.176098 16.581165 BFGS: 496 20:13:10 -679.777955 17.139324 BFGS: 497 20:13:11 -681.288283 17.422907 BFGS: 498 20:13:11 -682.752880 18.101693 BFGS: 499 20:13:11 -684.102190 18.243286 BFGS: 500 20:13:12 -685.381516 19.040903 BFGS: 501 20:13:12 -686.566288 19.162474 BFGS: 502 20:13:13 -687.537730 19.819574 BFGS: 503 20:13:13 -688.407836 20.029351 BFGS: 504 20:13:14 -689.144303 20.507253 BFGS: 505 20:13:14 -689.802275 20.763020 BFGS: 506 20:13:14 -690.387056 21.147342 BFGS: 507 20:13:15 -690.932188 21.419460 BFGS: 508 20:13:16 -691.444066 21.757734 BFGS: 509 20:13:17 -691.942753 22.040341 BFGS: 510 20:13:17 -692.434551 22.364587 BFGS: 511 20:13:18 -692.928572 22.657008 BFGS: 512 20:13:19 -693.426214 22.991568 BFGS: 513 20:13:20 -693.932136 23.292389 BFGS: 514 20:13:20 -694.445943 23.609320 BFGS: 515 20:13:21 -694.968713 23.904802 BFGS: 516 20:13:22 -695.501030 24.195516 BFGS: 517 20:13:23 -696.043159 24.440511 BFGS: 518 20:13:24 -696.594836 24.647811 BFGS: 519 20:13:26 -697.153907 24.818934 BFGS: 520 20:13:27 -697.723647 24.912798 BFGS: 521 20:13:29 -698.303906 24.917593 BFGS: 522 20:13:29 -698.895311 24.819489 BFGS: 523 20:13:30 -699.498247 24.607137 BFGS: 524 20:13:31 -700.115824 24.257243 BFGS: 525 20:13:32 -700.750322 23.725328 BFGS: 526 20:13:33 -701.406731 23.012175 BFGS: 527 20:13:35 -702.089480 22.035853 BFGS: 528 20:13:36 -702.810000 20.801758 BFGS: 529 20:13:37 -703.588948 19.411071 BFGS: 530 20:13:38 -704.450630 18.236389 BFGS: 531 20:13:38 -705.466727 16.614046 BFGS: 532 20:13:39 -706.739745 14.007236 BFGS: 533 20:13:40 -708.757488 12.080625 BFGS: 534 20:13:40 -710.801478 14.660001 BFGS: 535 20:13:41 -712.894906 17.641930 BFGS: 536 20:13:42 -714.487169 20.751771 BFGS: 537 20:13:42 -715.930223 22.781080 BFGS: 538 20:13:43 -717.293145 25.028574 BFGS: 539 20:13:44 -718.635526 27.009762 BFGS: 540 20:13:45 -719.964523 28.944479 BFGS: 541 20:13:46 -721.296882 30.705397 BFGS: 542 20:13:47 -722.629008 32.347280 BFGS: 543 20:13:47 -723.960881 33.823511 BFGS: 544 20:13:48 -725.285334 35.121132 BFGS: 545 20:13:49 -726.592804 36.266527 BFGS: 546 20:13:49 -727.875181 37.268310 BFGS: 547 20:13:50 -729.122492 38.147039 BFGS: 548 20:13:51 -730.331648 38.910502 BFGS: 549 20:13:52 -731.498760 39.585223 BFGS: 550 20:13:53 -732.623366 40.164285 BFGS: 551 20:13:53 -733.716976 40.663229 BFGS: 552 20:13:54 -734.782050 41.096200 BFGS: 553 20:13:55 -735.826343 41.459897 BFGS: 554 20:13:55 -736.858098 41.749953 BFGS: 555 20:13:56 -737.872531 41.980022 BFGS: 556 20:13:57 -738.888584 42.067577 BFGS: 557 20:13:58 -739.896220 42.122450 BFGS: 558 20:13:58 -740.901952 42.039184 BFGS: 559 20:13:59 -741.897676 41.896541 BFGS: 560 20:14:00 -742.890648 41.620387 BFGS: 561 20:14:01 -743.876517 41.295273 BFGS: 562 20:14:02 -744.858333 40.855176 BFGS: 563 20:14:03 -745.834602 40.363969 BFGS: 564 20:14:03 -746.807673 39.763804 BFGS: 565 20:14:04 -747.772164 39.153345 BFGS: 566 20:14:05 -748.735079 38.431255 BFGS: 567 20:14:06 -749.693426 37.725501 BFGS: 568 20:14:07 -750.654466 36.892077 BFGS: 569 20:14:07 -751.611198 36.132248 BFGS: 570 20:14:08 -752.574839 35.208186 BFGS: 571 20:14:09 -753.531895 34.424679 BFGS: 572 20:14:10 -754.501401 33.417166 BFGS: 573 20:14:11 -755.467127 32.623297 BFGS: 574 20:14:11 -756.449454 31.570293 BFGS: 575 20:14:12 -757.432034 30.762931 BFGS: 576 20:14:13 -758.424423 29.723936 BFGS: 577 20:14:15 -759.423554 28.877926 BFGS: 578 20:14:16 -760.445394 27.872405 BFGS: 579 20:14:18 -761.478557 26.989957 BFGS: 580 20:14:19 -762.532085 26.020975 BFGS: 581 20:14:20 -763.599606 25.093964 BFGS: 582 20:14:20 -764.680016 24.104740 BFGS: 583 20:14:21 -765.715701 23.658634 BFGS: 584 20:14:21 -766.658094 23.812657 BFGS: 585 20:14:22 -768.086128 23.494440 BFGS: 586 20:14:23 -769.497577 23.225024 BFGS: 587 20:14:24 -770.812841 23.074521 BFGS: 588 20:14:25 -773.171835 22.464174 BFGS: 589 20:14:27 -777.360199 21.141912 BFGS: 590 20:14:28 -780.581203 26.583652 BFGS: 591 20:14:29 -784.694331 23.434894 BFGS: 592 20:14:30 -788.223396 21.644371 BFGS: 593 20:14:31 -791.514541 19.961019 BFGS: 594 20:14:32 -794.574980 18.387526 BFGS: 595 20:14:33 -797.435044 18.635253 BFGS: 596 20:14:34 -800.099413 19.182529 BFGS: 597 20:14:35 -802.592207 19.689846 BFGS: 598 20:14:36 -804.966029 20.188643 BFGS: 599 20:14:37 -807.187474 20.633650 BFGS: 600 20:14:38 -809.314120 21.075667 BFGS: 601 20:14:38 -811.323545 21.487579 BFGS: 602 20:14:39 -813.254672 21.855660 BFGS: 603 20:14:39 -815.069986 22.226063 BFGS: 604 20:14:40 -816.857596 22.554975 BFGS: 605 20:14:41 -818.500554 22.976907 BFGS: 606 20:14:41 -820.183128 23.873619 BFGS: 607 20:14:42 -821.704453 25.526083 BFGS: 608 20:14:43 -823.241303 27.508056 BFGS: 609 20:14:44 -824.704316 29.322150 BFGS: 610 20:14:45 -826.150535 31.228783 BFGS: 611 20:14:45 -827.569322 33.110034 BFGS: 612 20:14:46 -828.973652 35.001932 BFGS: 613 20:14:48 -830.366607 36.898717 BFGS: 614 20:14:49 -831.742672 38.758564 BFGS: 615 20:14:50 -833.115199 40.640150 BFGS: 616 20:14:51 -834.478602 42.467734 BFGS: 617 20:14:52 -835.848991 44.320599 BFGS: 618 20:14:53 -837.219177 46.099508 BFGS: 619 20:14:54 -838.613549 47.918192 BFGS: 620 20:14:55 -840.017766 49.593200 BFGS: 621 20:14:56 -841.481107 51.393153 BFGS: 622 20:14:57 -842.957748 52.841986 BFGS: 623 20:14:57 -844.561382 54.663697 BFGS: 624 20:14:58 -846.158695 55.697971 BFGS: 625 20:14:59 -848.052301 57.773951 BFGS: 626 20:15:00 -849.815915 58.039266 BFGS: 627 20:15:01 -852.106220 60.025131 BFGS: 628 20:15:02 -854.275483 59.864634 BFGS: 629 20:15:03 -857.058507 60.565280 BFGS: 630 20:15:04 -859.951816 59.637702 BFGS: 631 20:15:06 -863.589060 58.534048 BFGS: 632 20:15:07 -867.443439 55.710028 BFGS: 633 20:15:07 -872.375538 51.293155 BFGS: 634 20:15:08 -877.405018 44.065377 BFGS: 635 20:15:09 -882.907664 38.914193 BFGS: 636 20:15:10 -888.602837 35.662471 BFGS: 637 20:15:11 -893.371422 31.069085 BFGS: 638 20:15:12 -895.973381 27.999231 BFGS: 639 20:15:13 -899.230462 23.944532 BFGS: 640 20:15:13 -901.603359 20.834142 BFGS: 641 20:15:14 -903.952508 17.559178 BFGS: 642 20:15:15 -905.697433 14.819723 BFGS: 643 20:15:15 -906.859348 13.255737 BFGS: 644 20:15:16 -907.806196 11.968886 BFGS: 645 20:15:17 -908.736839 11.619055 BFGS: 646 20:15:18 -909.727541 11.981556 BFGS: 647 20:15:19 -910.799029 12.229021 BFGS: 648 20:15:19 -911.955763 14.098436 BFGS: 649 20:15:20 -913.193609 17.740925 BFGS: 650 20:15:21 -914.505754 21.200034 BFGS: 651 20:15:23 -915.820296 24.138408 BFGS: 652 20:15:24 -917.150189 26.322627 BFGS: 653 20:15:26 -918.667189 26.844589 BFGS: 654 20:15:27 -920.258245 23.193438 BFGS: 655 20:15:28 -922.141533 20.211387 BFGS: 656 20:15:29 -924.025788 16.153116 BFGS: 657 20:15:31 -925.356093 11.299370 BFGS: 658 20:15:31 -925.915642 8.072166 BFGS: 659 20:15:32 -926.421079 6.764184 BFGS: 660 20:15:33 -926.645546 6.453962 BFGS: 661 20:15:33 -926.804911 6.701034 BFGS: 662 20:15:34 -927.022210 8.516116 BFGS: 663 20:15:35 -927.202034 9.674157 BFGS: 664 20:15:36 -927.402543 10.563048 BFGS: 665 20:15:37 -927.540925 10.355727 BFGS: 666 20:15:37 -927.729740 9.847436 BFGS: 667 20:15:38 -928.059920 8.621138 BFGS: 668 20:15:39 -928.705739 9.396220 BFGS: 669 20:15:39 -929.545582 13.738588 BFGS: 670 20:15:40 -930.219114 15.777302 BFGS: 671 20:15:41 -930.760560 13.324618 BFGS: 672 20:15:42 -931.426929 9.876276 BFGS: 673 20:15:43 -932.447687 10.179956 BFGS: 674 20:15:44 -934.461291 12.654043 BFGS: 675 20:15:46 -935.877742 12.946964 BFGS: 676 20:15:47 -937.233143 13.456940 BFGS: 677 20:15:48 -938.187306 13.800072 BFGS: 678 20:15:49 -938.882913 13.172507 BFGS: 679 20:15:50 -939.435056 11.391464 BFGS: 680 20:15:51 -939.777890 9.349979 BFGS: 681 20:15:52 -939.975526 7.617198 BFGS: 682 20:15:52 -940.219556 8.195068 BFGS: 683 20:15:53 -940.452287 8.356091 BFGS: 684 20:15:54 -940.664435 8.843690 BFGS: 685 20:15:54 -941.004405 8.489614 BFGS: 686 20:15:55 -941.523227 8.890964 BFGS: 687 20:15:56 -942.273666 8.765854 BFGS: 688 20:15:56 -942.894004 6.439236 BFGS: 689 20:15:57 -943.145916 6.798242 BFGS: 690 20:15:58 -943.230468 6.364024 BFGS: 691 20:15:58 -943.280833 5.983336 BFGS: 692 20:15:59 -943.298588 5.411130 BFGS: 693 20:16:00 -943.308472 5.256129 BFGS: 694 20:16:01 -943.325709 4.987022 BFGS: 695 20:16:01 -943.335465 4.725318 BFGS: 696 20:16:02 -943.341689 4.849884 BFGS: 697 20:16:03 -943.343389 4.927228 BFGS: 698 20:16:04 -943.344169 5.015737 BFGS: 699 20:16:05 -943.344181 5.008893 BFGS: 700 20:16:06 -943.344188 5.001672 BFGS: 701 20:16:07 -943.344190 4.997632 BFGS: 702 20:16:08 -943.344192 4.992056 BFGS: 703 20:16:09 -943.344193 4.990291 BFGS: 704 20:16:10 -943.344200 4.983747 BFGS: 705 20:16:11 -943.344214 4.975313 BFGS: 706 20:16:12 -943.344254 4.960813 BFGS: 707 20:16:13 -943.344354 4.938532 BFGS: 708 20:16:14 -943.344623 4.901994 BFGS: 709 20:16:15 -943.345319 4.843501 BFGS: 710 20:16:15 -943.347206 4.784551 BFGS: 711 20:16:16 -943.352049 4.919973 BFGS: 712 20:16:17 -943.361902 5.092901 BFGS: 713 20:16:18 -943.401878 5.508109 BFGS: 714 20:16:19 -943.490286 6.035805 BFGS: 715 20:16:20 -943.720983 6.909067 BFGS: 716 20:16:20 -944.244503 10.283790 BFGS: 717 20:16:21 -945.295643 13.067619 BFGS: 718 20:16:22 -946.420015 14.590013 BFGS: 719 20:16:23 -947.631854 11.073440 BFGS: 720 20:16:24 -949.783310 10.364636 BFGS: 721 20:16:25 -953.868209 8.432977 BFGS: 722 20:16:26 -955.437888 9.289830 BFGS: 723 20:16:26 -959.466359 6.412744 BFGS: 724 20:16:27 -963.478866 5.227862 BFGS: 725 20:16:28 -966.311802 7.200207 BFGS: 726 20:16:29 -968.339312 10.264808 BFGS: 727 20:16:30 -969.953521 12.909479 BFGS: 728 20:16:31 -971.310733 11.833654 BFGS: 729 20:16:32 -972.326289 13.222927 BFGS: 730 20:16:32 -973.574342 11.698129 BFGS: 731 20:16:33 -974.355307 11.597066 BFGS: 732 20:16:35 -974.491861 12.204294 BFGS: 733 20:16:35 -974.588564 12.588495 BFGS: 734 20:16:36 -974.620798 12.816918 BFGS: 735 20:16:37 -974.635790 13.422785 BFGS: 736 20:16:37 -974.647296 14.278801 BFGS: 737 20:16:38 -974.660527 14.588961 BFGS: 738 20:16:39 -974.686441 15.391169 BFGS: 739 20:16:41 -974.700211 15.690256 BFGS: 740 20:16:41 -974.717159 15.675263 BFGS: 741 20:16:42 -974.724407 15.374883 BFGS: 742 20:16:43 -974.728656 15.051269 BFGS: 743 20:16:43 -974.730276 14.974566 BFGS: 744 20:16:44 -974.731299 14.965011 BFGS: 745 20:16:45 -974.731381 15.013304 BFGS: 746 20:16:46 -974.731427 15.064966 BFGS: 747 20:16:47 -974.731453 15.082954 BFGS: 748 20:16:47 -974.731585 15.137329 BFGS: 749 20:16:48 -974.731859 15.203751 BFGS: 750 20:16:49 -974.732638 15.316360 BFGS: 751 20:16:50 -974.734604 15.485763 BFGS: 752 20:16:51 -974.739803 15.752580 BFGS: 753 20:16:52 -974.753302 16.161440 BFGS: 754 20:16:53 -974.788483 16.775906 BFGS: 755 20:16:54 -974.879129 17.649791 BFGS: 756 20:16:55 -975.106876 18.712416 BFGS: 757 20:16:55 -975.645289 19.496716 BFGS: 758 20:16:56 -976.692721 18.321458 BFGS: 759 20:16:57 -978.125806 13.032136 BFGS: 760 20:16:57 -979.303358 5.994154 BFGS: 761 20:16:58 -979.669061 0.848474 BFGS: 762 20:16:59 -979.694522 0.670713 BFGS: 763 20:17:01 -979.699755 0.288949 BFGS: 764 20:17:02 -979.701846 0.178459 BFGS: 765 20:17:03 -979.702276 0.100251 BFGS: 766 20:17:03 -979.702360 0.011404 BFGS: 767 20:17:04 -979.702362 0.004275 BFGS: 768 20:17:05 -979.702362 0.000381 BFGS: 769 20:17:06 -979.702362 0.000181 BFGS: 770 20:17:07 -979.702362 0.000031 BFGS: 771 20:17:08 -979.702362 0.000008 BFGS: 772 20:17:09 -979.702362 0.000002 BFGS: 773 20:17:10 -979.702362 0.000000 BFGS: 774 20:17:11 -979.702362 0.000000 BFGS: 775 20:17:12 -979.702362 0.000000 BFGS: 776 20:17:13 -979.702362 0.000000 Minimization converged after 776 steps. Maximum force component: 1.1538584058275875e-08 eV/Angstrom Maximum stress component: 3.151418279158594e-09 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['B', 'B', 'B', 'B', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N'] basis = [[6.16297582e-33 1.49231893e-01 6.19186389e-01] [0.00000000e+00 8.50768107e-01 1.19186389e-01] [5.00000000e-01 6.49231893e-01 6.19186389e-01] [5.00000000e-01 3.50768107e-01 1.19186389e-01] [0.00000000e+00 3.89077511e-01 3.28172943e-01] [1.17416134e-32 6.10922489e-01 8.28172943e-01] [5.00000000e-01 8.89077511e-01 3.28172943e-01] [5.00000000e-01 1.10922489e-01 8.28172943e-01] [0.00000000e+00 1.81224473e-01 2.88732164e-01] [8.70798897e-35 8.18775527e-01 7.88732164e-01] [5.00000000e-01 6.81224473e-01 2.88732164e-01] [5.00000000e-01 3.18775527e-01 7.88732164e-01] [6.76339215e-01 9.94621378e-01 7.79288340e-01] [3.23660785e-01 5.37862250e-03 2.79288340e-01] [6.76339215e-01 5.37862250e-03 2.79288340e-01] [3.23660785e-01 9.94621378e-01 7.79288340e-01] [1.76339215e-01 4.94621378e-01 7.79288340e-01] [8.23660785e-01 5.05378622e-01 2.79288340e-01] [1.76339215e-01 5.05378622e-01 2.79288340e-01] [8.23660785e-01 4.94621378e-01 7.79288340e-01] [3.08481727e-01 7.85904625e-01 3.29483550e-01] [6.91518273e-01 2.14095375e-01 8.29483550e-01] [3.08481727e-01 2.14095375e-01 8.29483550e-01] [6.91518273e-01 7.85904625e-01 3.29483550e-01] [8.08481727e-01 2.85904625e-01 3.29483550e-01] [1.91518273e-01 7.14095375e-01 8.29483550e-01] [8.08481727e-01 7.14095375e-01 8.29483550e-01] [1.91518273e-01 2.85904625e-01 3.29483550e-01] [2.87122014e-35 3.52213944e-01 2.48879585e-02] [0.00000000e+00 6.47786056e-01 5.24887959e-01] [5.00000000e-01 8.52213944e-01 2.48879585e-02] [5.00000000e-01 1.47786056e-01 5.24887959e-01]] cellpar = Cell([2.7806264928494384, 2.8151238460332446, 3.2311753343075815]) forces = [[ 0.00000000e+00 -4.34621632e-10 -5.42587870e-09] [ 0.00000000e+00 4.34621632e-10 -5.42587870e-09] [ 0.00000000e+00 -4.34621632e-10 -5.42587870e-09] [ 0.00000000e+00 4.34621632e-10 -5.42587870e-09] [ 0.00000000e+00 -5.82323733e-09 -1.15385841e-08] [ 0.00000000e+00 5.82323733e-09 -1.15385841e-08] [ 0.00000000e+00 -5.82323733e-09 -1.15385841e-08] [ 0.00000000e+00 5.82323733e-09 -1.15385841e-08] [ 0.00000000e+00 -1.85020196e-09 2.34420747e-09] [ 0.00000000e+00 1.85020196e-09 2.34420747e-09] [ 0.00000000e+00 -1.85020196e-09 2.34420747e-09] [ 0.00000000e+00 1.85020196e-09 2.34420747e-09] [-1.38551668e-09 -4.54255182e-09 2.84362348e-09] [ 1.38551668e-09 4.54255182e-09 2.84362348e-09] [-1.38551668e-09 4.54255182e-09 2.84362348e-09] [ 1.38551668e-09 -4.54255182e-09 2.84362348e-09] [-1.38551668e-09 -4.54255182e-09 2.84362348e-09] [ 1.38551668e-09 4.54255182e-09 2.84362348e-09] [-1.38551668e-09 4.54255182e-09 2.84362348e-09] [ 1.38551668e-09 -4.54255182e-09 2.84362348e-09] [-1.90158641e-10 -2.20125301e-09 1.40050634e-09] [ 1.90158641e-10 2.20125301e-09 1.40050634e-09] [-1.90158641e-10 2.20125301e-09 1.40050634e-09] [ 1.90158641e-10 -2.20125301e-09 1.40050634e-09] [-1.90158641e-10 -2.20125301e-09 1.40050634e-09] [ 1.90158641e-10 2.20125301e-09 1.40050634e-09] [-1.90158641e-10 2.20125301e-09 1.40050634e-09] [ 1.90158641e-10 -2.20125301e-09 1.40050634e-09] [ 0.00000000e+00 -3.83951940e-10 6.13197605e-09] [ 0.00000000e+00 3.83951940e-10 6.13197605e-09] [ 0.00000000e+00 -3.83951940e-10 6.13197605e-09] [ 0.00000000e+00 3.83951940e-10 6.13197605e-09]] stress = [-1.27056434e-09 7.99458117e-11 3.15141828e-09 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -30.61569880833421 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['B', 'H', 'H', 'H', 'H', 'N'] representative atom coordinates = [[0. 0.15359558 0.28826404] [0. 0.18289626 0.94094948] [0. 0.26822415 0.43822572] [0.36746405 0.86524927 0.05492277] [0.83972113 0.04989785 0.28960023] [0. 0.27656736 0.07041476]] spacegroup = 36 cell = [[6.2619, 0, 0], [0, 6.7651, 0], [0, 0, 6.269]] ========================================= Step Time Energy fmax BFGS: 0 20:17:21 -146.855673 7.327637 BFGS: 1 20:17:22 -149.511016 16.355119 BFGS: 2 20:17:22 -149.072211 10.538225 BFGS: 3 20:17:23 -146.427381 31.044116 BFGS: 4 20:17:23 -148.467649 9.771801 BFGS: 5 20:17:23 -148.481700 19.174644 BFGS: 6 20:17:24 -150.736861 5.564586 BFGS: 7 20:17:25 -148.692951 23.089974 BFGS: 8 20:17:25 -149.936502 6.177610 BFGS: 9 20:17:25 -150.703444 7.037257 BFGS: 10 20:17:25 -151.191754 1.334926 BFGS: 11 20:17:25 -151.255464 0.613141 BFGS: 12 20:17:25 -151.319226 0.690017 BFGS: 13 20:17:26 -151.458741 1.979729 BFGS: 14 20:17:26 -151.652114 2.889832 BFGS: 15 20:17:26 -151.968381 2.455238 BFGS: 16 20:17:26 -152.346966 1.675724 BFGS: 17 20:17:26 -152.754562 0.806585 BFGS: 18 20:17:26 -153.167439 0.847047 BFGS: 19 20:17:26 -153.648399 0.692547 BFGS: 20 20:17:27 -154.074542 2.797839 BFGS: 21 20:17:28 -154.596654 3.861576 BFGS: 22 20:17:28 -155.370333 3.631968 BFGS: 23 20:17:29 -156.255270 4.078939 BFGS: 24 20:17:29 -157.062698 6.275210 BFGS: 25 20:17:29 -157.981164 5.421240 BFGS: 26 20:17:30 -158.521904 7.300626 BFGS: 27 20:17:30 -158.973104 8.611588 BFGS: 28 20:17:31 -159.380625 9.423362 BFGS: 29 20:17:31 -159.791791 9.937739 BFGS: 30 20:17:32 -160.255845 10.242736 BFGS: 31 20:17:33 -160.824505 10.392306 BFGS: 32 20:17:33 -161.549472 10.471021 BFGS: 33 20:17:34 -162.518813 10.531852 BFGS: 34 20:17:34 -163.894172 10.691415 BFGS: 35 20:17:34 -165.988323 11.160253 BFGS: 36 20:17:34 -168.680349 12.105191 BFGS: 37 20:17:34 -172.142623 13.694141 BFGS: 38 20:17:35 -176.563072 15.971869 BFGS: 39 20:17:36 -182.110065 18.372928 BFGS: 40 20:17:36 -188.309664 17.471099 BFGS: 41 20:17:37 -193.160331 11.064247 BFGS: 42 20:17:37 -197.834309 14.747251 BFGS: 43 20:17:37 -202.389755 18.045183 BFGS: 44 20:17:37 -206.971028 22.677338 BFGS: 45 20:17:38 -211.568575 30.610372 BFGS: 46 20:17:39 -216.045426 47.991334 BFGS: 47 20:17:40 -220.433583 68.117385 BFGS: 48 20:17:40 -224.889328 83.577868 BFGS: 49 20:17:41 -229.328952 89.615283 BFGS: 50 20:17:42 -233.195630 85.679203 BFGS: 51 20:17:42 -236.901841 81.979189 BFGS: 52 20:17:43 -241.092968 96.041860 BFGS: 53 20:17:43 -245.223636 115.161959 BFGS: 54 20:17:43 -252.582445 93.941385 BFGS: 55 20:17:44 -259.522065 69.046563 BFGS: 56 20:17:44 -266.561848 34.923918 BFGS: 57 20:17:45 -272.068450 29.567998 BFGS: 58 20:17:45 -277.812140 11.331209 BFGS: 59 20:17:46 -282.020268 15.223417 BFGS: 60 20:17:46 -286.065111 21.620179 BFGS: 61 20:17:47 -289.452935 25.834870 BFGS: 62 20:17:47 -289.635326 45.666358 BFGS: 63 20:17:48 -292.876565 17.479697 BFGS: 64 20:17:48 -294.188027 21.538549 BFGS: 65 20:17:48 -295.588608 21.005601 BFGS: 66 20:17:48 -296.806212 19.104314 BFGS: 67 20:17:49 -297.864710 17.420295 BFGS: 68 20:17:49 -298.843458 15.687092 BFGS: 69 20:17:50 -299.770907 14.157211 BFGS: 70 20:17:50 -300.673631 12.782399 BFGS: 71 20:17:50 -301.569598 11.555413 BFGS: 72 20:17:51 -302.497149 10.520810 BFGS: 73 20:17:51 -303.509447 9.528318 BFGS: 74 20:17:52 -304.653881 9.689960 BFGS: 75 20:17:52 -305.986325 10.044352 BFGS: 76 20:17:53 -307.572238 10.310402 BFGS: 77 20:17:54 -309.509044 10.843088 BFGS: 78 20:17:55 -311.942385 12.723784 BFGS: 79 20:17:55 -315.101641 15.270647 BFGS: 80 20:17:56 -319.324603 18.646609 BFGS: 81 20:17:56 -325.080697 22.788767 BFGS: 82 20:17:57 -332.682925 26.072054 BFGS: 83 20:17:58 -340.860709 22.058330 BFGS: 84 20:17:59 -345.260588 17.653778 BFGS: 85 20:17:59 -348.614321 24.232622 BFGS: 86 20:18:00 -352.014556 31.816061 BFGS: 87 20:18:00 -354.187241 28.368092 BFGS: 88 20:18:01 -355.703200 27.040462 BFGS: 89 20:18:02 -356.925106 26.728739 BFGS: 90 20:18:02 -358.060967 25.625511 BFGS: 91 20:18:03 -359.093605 25.357766 BFGS: 92 20:18:03 -360.072153 24.283281 BFGS: 93 20:18:04 -360.980901 23.813886 BFGS: 94 20:18:04 -361.831826 22.856639 BFGS: 95 20:18:05 -362.627806 22.130421 BFGS: 96 20:18:06 -363.371311 21.255067 BFGS: 97 20:18:06 -364.072708 20.379694 BFGS: 98 20:18:07 -364.734322 19.484959 BFGS: 99 20:18:08 -365.364729 18.527360 BFGS: 100 20:18:08 -365.965833 18.219966 BFGS: 101 20:18:08 -366.543312 18.274284 BFGS: 102 20:18:09 -367.097890 18.256051 BFGS: 103 20:18:09 -367.632784 18.093850 BFGS: 104 20:18:10 -368.149228 17.838204 BFGS: 105 20:18:10 -368.650060 17.473195 BFGS: 106 20:18:11 -369.135931 17.000672 BFGS: 107 20:18:12 -369.610824 16.428321 BFGS: 108 20:18:12 -370.077635 15.769933 BFGS: 109 20:18:13 -370.541719 15.005017 BFGS: 110 20:18:13 -371.007693 14.169446 BFGS: 111 20:18:13 -371.481695 13.263900 BFGS: 112 20:18:14 -371.972502 12.324858 BFGS: 113 20:18:15 -372.488528 11.320421 BFGS: 114 20:18:15 -373.008419 10.382639 BFGS: 115 20:18:15 -373.498802 10.119403 BFGS: 116 20:18:16 -373.971035 9.850949 BFGS: 117 20:18:16 -374.432620 9.573172 BFGS: 118 20:18:17 -374.888042 9.284699 BFGS: 119 20:18:17 -375.340958 8.987469 BFGS: 120 20:18:17 -375.792904 9.095853 BFGS: 121 20:18:17 -376.245685 9.668944 BFGS: 122 20:18:17 -376.700607 10.221647 BFGS: 123 20:18:17 -377.158748 10.758098 BFGS: 124 20:18:18 -377.620990 11.282414 BFGS: 125 20:18:18 -378.088410 11.799023 BFGS: 126 20:18:18 -378.560128 12.315973 BFGS: 127 20:18:19 -379.037046 12.833212 BFGS: 128 20:18:20 -379.519529 13.359821 BFGS: 129 20:18:20 -380.006792 13.887360 BFGS: 130 20:18:21 -380.498865 14.422077 BFGS: 131 20:18:21 -380.995017 14.972519 BFGS: 132 20:18:22 -381.495818 15.534270 BFGS: 133 20:18:22 -382.002867 16.095373 BFGS: 134 20:18:23 -382.510774 16.660955 BFGS: 135 20:18:24 -383.019664 17.224157 BFGS: 136 20:18:24 -383.530232 17.785242 BFGS: 137 20:18:25 -384.042131 18.331725 BFGS: 138 20:18:26 -384.556012 18.850105 BFGS: 139 20:18:26 -385.072046 19.328058 BFGS: 140 20:18:26 -385.590402 19.743760 BFGS: 141 20:18:27 -386.110172 20.059452 BFGS: 142 20:18:27 -386.627675 20.242654 BFGS: 143 20:18:28 -387.138116 20.199584 BFGS: 144 20:18:28 -387.637772 19.747255 BFGS: 145 20:18:29 -388.147476 18.489841 BFGS: 146 20:18:29 -388.756760 15.178025 BFGS: 147 20:18:30 -389.259513 14.730451 BFGS: 148 20:18:30 -389.697285 14.457429 BFGS: 149 20:18:31 -390.013417 14.276053 BFGS: 150 20:18:31 -390.243111 14.015942 BFGS: 151 20:18:32 -390.429604 13.776925 BFGS: 152 20:18:32 -390.585467 13.377897 BFGS: 153 20:18:34 -390.734161 13.068934 BFGS: 154 20:18:34 -390.880718 13.122416 BFGS: 155 20:18:35 -391.030113 13.194685 BFGS: 156 20:18:36 -391.185964 12.942325 BFGS: 157 20:18:37 -391.346269 12.593112 BFGS: 158 20:18:37 -391.509368 12.115558 BFGS: 159 20:18:38 -391.672850 11.568468 BFGS: 160 20:18:38 -391.834592 10.959498 BFGS: 161 20:18:39 -391.992599 10.623542 BFGS: 162 20:18:40 -392.145613 10.315194 BFGS: 163 20:18:41 -392.291945 9.973559 BFGS: 164 20:18:42 -392.430972 9.597344 BFGS: 165 20:18:43 -392.562391 9.184789 BFGS: 166 20:18:43 -392.686314 8.738086 BFGS: 167 20:18:44 -392.802996 8.258223 BFGS: 168 20:18:45 -392.913017 7.751116 BFGS: 169 20:18:46 -393.016916 7.215600 BFGS: 170 20:18:47 -393.115933 6.662517 BFGS: 171 20:18:48 -393.211136 6.108274 BFGS: 172 20:18:49 -393.303901 6.058365 BFGS: 173 20:18:49 -393.395694 6.088902 BFGS: 174 20:18:50 -393.488089 6.203078 BFGS: 175 20:18:50 -393.582675 6.399101 BFGS: 176 20:18:51 -393.681014 6.671815 BFGS: 177 20:18:51 -393.784575 7.013710 BFGS: 178 20:18:52 -393.894697 7.416183 BFGS: 179 20:18:52 -394.012751 7.870578 BFGS: 180 20:18:53 -394.138615 8.364119 BFGS: 181 20:18:54 -394.274113 8.895751 BFGS: 182 20:18:55 -394.419668 9.457419 BFGS: 183 20:18:55 -394.575584 10.043217 BFGS: 184 20:18:56 -394.741832 10.646959 BFGS: 185 20:18:57 -394.918301 11.262748 BFGS: 186 20:18:57 -395.104146 11.883308 BFGS: 187 20:18:58 -395.298724 12.505402 BFGS: 188 20:18:58 -395.500864 13.116732 BFGS: 189 20:18:59 -395.709461 13.707990 BFGS: 190 20:19:00 -395.923470 14.266961 BFGS: 191 20:19:01 -396.142088 14.782197 BFGS: 192 20:19:01 -396.364777 15.241663 BFGS: 193 20:19:02 -396.591333 15.634882 BFGS: 194 20:19:02 -396.822075 15.953719 BFGS: 195 20:19:03 -397.055642 16.195073 BFGS: 196 20:19:04 -397.293228 16.347307 BFGS: 197 20:19:04 -397.534295 16.414485 BFGS: 198 20:19:05 -397.778561 16.387976 BFGS: 199 20:19:06 -398.025311 16.276110 BFGS: 200 20:19:06 -398.271729 16.073693 BFGS: 201 20:19:07 -398.519013 15.788395 BFGS: 202 20:19:07 -398.764098 15.422183 BFGS: 203 20:19:07 -399.006252 14.982951 BFGS: 204 20:19:08 -399.243806 14.445589 BFGS: 205 20:19:09 -399.475059 13.845404 BFGS: 206 20:19:09 -399.698056 13.135912 BFGS: 207 20:19:10 -399.911978 12.379404 BFGS: 208 20:19:13 -400.114324 11.495026 BFGS: 209 20:19:14 -400.303923 10.591484 BFGS: 210 20:19:15 -400.478459 9.545408 BFGS: 211 20:19:16 -400.640375 8.469570 BFGS: 212 20:19:17 -400.784132 7.251776 BFGS: 213 20:19:17 -400.912200 5.961272 BFGS: 214 20:19:18 -401.019341 5.067413 BFGS: 215 20:19:19 -401.105239 4.069690 BFGS: 216 20:19:19 -401.165732 2.709414 BFGS: 217 20:19:20 -401.195575 1.379469 BFGS: 218 20:19:21 -401.210207 1.279154 BFGS: 219 20:19:22 -401.247685 1.271087 BFGS: 220 20:19:23 -401.257412 1.265202 BFGS: 221 20:19:24 -401.263564 1.372760 BFGS: 222 20:19:26 -401.270710 1.407208 BFGS: 223 20:19:27 -401.285863 1.923059 BFGS: 224 20:19:28 -401.308423 2.601103 BFGS: 225 20:19:29 -401.330051 2.997137 BFGS: 226 20:19:30 -401.353037 3.121489 BFGS: 227 20:19:32 -401.377728 3.139552 BFGS: 228 20:19:33 -401.403748 3.105157 BFGS: 229 20:19:34 -401.429205 3.063911 BFGS: 230 20:19:35 -401.454513 3.024984 BFGS: 231 20:19:36 -401.479840 2.991797 BFGS: 232 20:19:37 -401.505585 2.980925 BFGS: 233 20:19:40 -401.528748 2.893983 BFGS: 234 20:19:42 -401.554964 2.861108 BFGS: 235 20:19:43 -401.580846 2.817651 BFGS: 236 20:19:44 -401.606268 2.760222 BFGS: 237 20:19:45 -401.630179 2.686856 BFGS: 238 20:19:46 -401.657409 2.749174 BFGS: 239 20:19:46 -401.683538 2.643746 BFGS: 240 20:19:47 -401.710913 6.751988 BFGS: 241 20:19:48 -401.763709 6.095639 BFGS: 242 20:19:49 -401.809355 5.621721 BFGS: 243 20:19:49 -401.852024 5.245251 BFGS: 244 20:19:50 -401.893142 4.926317 BFGS: 245 20:19:51 -401.933167 4.662615 BFGS: 246 20:19:51 -401.972656 4.432079 BFGS: 247 20:19:52 -402.011775 4.229841 BFGS: 248 20:19:53 -402.050699 4.049410 BFGS: 249 20:19:53 -402.089542 3.885690 BFGS: 250 20:19:54 -402.128380 3.734393 BFGS: 251 20:19:54 -402.167228 3.590505 BFGS: 252 20:19:55 -402.206796 3.426481 BFGS: 253 20:19:55 -402.245354 3.315023 BFGS: 254 20:19:56 -402.287314 3.108205 BFGS: 255 20:19:56 -402.330335 2.865003 BFGS: 256 20:19:57 -402.370467 2.811526 BFGS: 257 20:19:57 -402.413137 2.687785 BFGS: 258 20:19:58 -402.454652 2.650220 BFGS: 259 20:19:59 -402.498756 2.548252 BFGS: 260 20:20:00 -402.541184 2.548306 BFGS: 261 20:20:00 -402.588021 2.396773 BFGS: 262 20:20:01 -402.636685 2.180700 BFGS: 263 20:20:01 -402.681258 2.182286 BFGS: 264 20:20:02 -402.727185 2.162032 BFGS: 265 20:20:03 -402.774064 2.143978 BFGS: 266 20:20:03 -402.821701 2.126772 BFGS: 267 20:20:05 -402.869771 2.120541 BFGS: 268 20:20:06 -402.918497 2.114772 BFGS: 269 20:20:07 -402.967855 2.110674 BFGS: 270 20:20:08 -403.017858 2.107782 BFGS: 271 20:20:08 -403.068513 2.105933 BFGS: 272 20:20:09 -403.119829 2.104946 BFGS: 273 20:20:10 -403.171815 2.104674 BFGS: 274 20:20:11 -403.224484 2.104992 BFGS: 275 20:20:11 -403.278093 2.104975 BFGS: 276 20:20:12 -403.332374 2.106229 BFGS: 277 20:20:12 -403.387372 2.107621 BFGS: 278 20:20:13 -403.443094 2.109304 BFGS: 279 20:20:13 -403.499580 2.119289 BFGS: 280 20:20:14 -403.557166 2.121913 BFGS: 281 20:20:15 -403.615832 2.119083 BFGS: 282 20:20:16 -403.675279 2.120151 BFGS: 283 20:20:17 -403.735777 2.119238 BFGS: 284 20:20:18 -403.797003 2.121794 BFGS: 285 20:20:20 -403.859235 2.120197 BFGS: 286 20:20:20 -403.922213 2.122023 BFGS: 287 20:20:21 -403.986075 2.123179 BFGS: 288 20:20:22 -404.050861 2.124706 BFGS: 289 20:20:23 -404.117326 2.108119 BFGS: 290 20:20:23 -404.184051 2.113241 BFGS: 291 20:20:24 -404.251921 2.114505 BFGS: 292 20:20:25 -404.322430 2.081865 BFGS: 293 20:20:26 -404.393156 2.096203 BFGS: 294 20:20:27 -404.465269 2.096904 BFGS: 295 20:20:28 -404.538269 2.101838 BFGS: 296 20:20:28 -404.612267 2.109750 BFGS: 297 20:20:29 -404.687529 2.110788 BFGS: 298 20:20:30 -404.763784 2.113813 BFGS: 299 20:20:30 -404.841828 2.115544 BFGS: 300 20:20:31 -404.921522 2.114069 BFGS: 301 20:20:32 -405.002318 2.116097 BFGS: 302 20:20:32 -405.084263 2.118377 BFGS: 303 20:20:33 -405.167414 2.119978 BFGS: 304 20:20:34 -405.251767 2.121611 BFGS: 305 20:20:35 -405.337731 2.133858 BFGS: 306 20:20:35 -405.425078 2.138630 BFGS: 307 20:20:36 -405.514213 2.131822 BFGS: 308 20:20:37 -405.604369 2.134186 BFGS: 309 20:20:37 -405.696064 2.131862 BFGS: 310 20:20:38 -405.789224 2.132505 BFGS: 311 20:20:39 -405.883933 2.136819 BFGS: 312 20:20:39 -405.980574 2.133327 BFGS: 313 20:20:40 -406.078608 2.132957 BFGS: 314 20:20:41 -406.178777 2.146312 BFGS: 315 20:20:41 -406.279816 2.166567 BFGS: 316 20:20:41 -406.384654 2.129793 BFGS: 317 20:20:41 -406.490338 2.133000 BFGS: 318 20:20:41 -406.597991 2.129081 BFGS: 319 20:20:42 -406.707212 2.128884 BFGS: 320 20:20:42 -406.818312 2.125558 BFGS: 321 20:20:43 -406.931094 2.124875 BFGS: 322 20:20:44 -407.045784 2.122167 BFGS: 323 20:20:45 -407.162256 2.121384 BFGS: 324 20:20:47 -407.280688 2.119169 BFGS: 325 20:20:47 -407.401000 2.118421 BFGS: 326 20:20:48 -407.523340 2.116588 BFGS: 327 20:20:49 -407.647844 2.122568 BFGS: 328 20:20:50 -407.775215 2.112523 BFGS: 329 20:20:50 -407.906037 2.091921 BFGS: 330 20:20:52 -408.037330 2.108078 BFGS: 331 20:20:53 -408.172669 2.093819 BFGS: 332 20:20:54 -408.308735 2.115180 BFGS: 333 20:20:56 -408.449203 2.090337 BFGS: 334 20:20:57 -408.589720 2.117846 BFGS: 335 20:20:57 -408.735570 2.081909 BFGS: 336 20:20:58 -408.880257 2.127574 BFGS: 337 20:20:59 -409.033443 2.054540 BFGS: 338 20:21:00 -409.180453 2.183788 BFGS: 339 20:21:01 -409.336320 1.959189 BFGS: 340 20:21:02 -409.501005 2.033955 BFGS: 341 20:21:03 -409.661697 2.007156 BFGS: 342 20:21:04 -409.826164 2.016930 BFGS: 343 20:21:05 -409.993953 2.020351 BFGS: 344 20:21:07 -410.165003 2.017559 BFGS: 345 20:21:08 -410.339640 2.020691 BFGS: 346 20:21:09 -410.517665 2.022937 BFGS: 347 20:21:10 -410.699180 2.025892 BFGS: 348 20:21:11 -410.884299 2.025411 BFGS: 349 20:21:11 -411.072625 2.031924 BFGS: 350 20:21:12 -411.265339 2.034398 BFGS: 351 20:21:13 -411.461872 2.032947 BFGS: 352 20:21:14 -411.662297 2.033882 BFGS: 353 20:21:14 -411.865988 2.036492 BFGS: 354 20:21:15 -412.076047 2.038816 BFGS: 355 20:21:16 -412.290176 2.038971 BFGS: 356 20:21:16 -412.508860 2.040704 BFGS: 357 20:21:17 -412.732071 2.042126 BFGS: 358 20:21:17 -412.960158 2.044085 BFGS: 359 20:21:17 -413.192844 2.041742 BFGS: 360 20:21:18 -413.431349 2.046588 BFGS: 361 20:21:18 -413.673920 2.048180 BFGS: 362 20:21:18 -413.919892 2.068024 BFGS: 363 20:21:19 -414.168769 2.104129 BFGS: 364 20:21:20 -414.421953 2.142324 BFGS: 365 20:21:21 -414.678322 2.184270 BFGS: 366 20:21:21 -414.940405 2.227276 BFGS: 367 20:21:21 -415.204775 2.267273 BFGS: 368 20:21:22 -415.473587 2.307388 BFGS: 369 20:21:24 -415.745768 2.351453 BFGS: 370 20:21:25 -416.020946 2.393538 BFGS: 371 20:21:26 -416.300167 2.436332 BFGS: 372 20:21:27 -416.583355 2.484927 BFGS: 373 20:21:28 -416.871852 2.529319 BFGS: 374 20:21:29 -417.162684 2.574397 BFGS: 375 20:21:31 -417.458315 2.621942 BFGS: 376 20:21:31 -417.758096 2.668545 BFGS: 377 20:21:32 -418.061564 2.715816 BFGS: 378 20:21:32 -418.369988 2.774086 BFGS: 379 20:21:33 -418.683540 2.823402 BFGS: 380 20:21:33 -419.000044 2.873663 BFGS: 381 20:21:34 -419.321684 2.938890 BFGS: 382 20:21:34 -419.646579 2.997783 BFGS: 383 20:21:35 -419.978296 3.051257 BFGS: 384 20:21:36 -420.313634 3.104475 BFGS: 385 20:21:37 -420.654526 3.159271 BFGS: 386 20:21:38 -421.000863 3.215792 BFGS: 387 20:21:39 -421.351309 3.272411 BFGS: 388 20:21:40 -421.705745 3.329334 BFGS: 389 20:21:40 -422.065476 3.387671 BFGS: 390 20:21:41 -422.429676 3.446742 BFGS: 391 20:21:41 -422.799251 3.508597 BFGS: 392 20:21:42 -423.173172 3.570112 BFGS: 393 20:21:43 -423.552950 3.638794 BFGS: 394 20:21:43 -423.937404 3.702490 BFGS: 395 20:21:44 -424.328636 3.770751 BFGS: 396 20:21:44 -424.724295 3.837089 BFGS: 397 20:21:44 -425.126096 3.903761 BFGS: 398 20:21:45 -425.533051 3.971632 BFGS: 399 20:21:46 -425.945752 4.040737 BFGS: 400 20:21:46 -426.364274 4.117890 BFGS: 401 20:21:46 -426.788279 4.191407 BFGS: 402 20:21:46 -427.222634 4.265034 BFGS: 403 20:21:46 -427.658559 4.338932 BFGS: 404 20:21:47 -428.103760 4.430935 BFGS: 405 20:21:47 -428.551462 4.513595 BFGS: 406 20:21:47 -429.008865 4.592878 BFGS: 407 20:21:49 -429.471499 4.676439 BFGS: 408 20:21:49 -429.945967 4.766509 BFGS: 409 20:21:50 -430.424716 4.848942 BFGS: 410 20:21:50 -430.910659 4.933836 BFGS: 411 20:21:51 -431.401976 5.020992 BFGS: 412 20:21:51 -431.903999 5.115045 BFGS: 413 20:21:51 -432.410518 5.211676 BFGS: 414 20:21:52 -432.923984 5.308242 BFGS: 415 20:21:52 -433.445133 5.409046 BFGS: 416 20:21:52 -433.979542 5.518356 BFGS: 417 20:21:53 -434.518843 5.615942 BFGS: 418 20:21:53 -435.068159 5.721807 BFGS: 419 20:21:53 -435.624759 5.820734 BFGS: 420 20:21:54 -436.190665 5.923453 BFGS: 421 20:21:54 -436.761340 6.031213 BFGS: 422 20:21:55 -437.345192 6.139733 BFGS: 423 20:21:55 -437.932009 6.245175 BFGS: 424 20:21:56 -438.535532 6.356375 BFGS: 425 20:21:57 -439.138976 6.464308 BFGS: 426 20:21:57 -439.760082 6.579665 BFGS: 427 20:21:57 -440.380950 6.690896 BFGS: 428 20:21:58 -441.021832 6.817580 BFGS: 429 20:21:58 -441.660265 6.932648 BFGS: 430 20:21:59 -442.326279 7.089056 BFGS: 431 20:22:00 -442.981381 7.211638 BFGS: 432 20:22:01 -443.675715 7.355183 BFGS: 433 20:22:01 -444.344791 7.476818 BFGS: 434 20:22:01 -445.084458 7.644512 BFGS: 435 20:22:02 -445.864706 7.841279 BFGS: 436 20:22:03 -446.588099 7.964004 BFGS: 437 20:22:03 -447.320974 8.102450 BFGS: 438 20:22:04 -448.070954 8.240914 BFGS: 439 20:22:04 -448.833067 8.383873 BFGS: 440 20:22:04 -449.609117 8.529643 BFGS: 441 20:22:05 -450.398700 8.678641 BFGS: 442 20:22:05 -451.202230 8.830712 BFGS: 443 20:22:06 -452.020448 9.002298 BFGS: 444 20:22:07 -452.854820 9.161454 BFGS: 445 20:22:07 -453.704165 9.341309 BFGS: 446 20:22:08 -454.567483 9.506399 BFGS: 447 20:22:08 -455.448702 9.682113 BFGS: 448 20:22:09 -456.349775 9.856238 BFGS: 449 20:22:10 -457.263972 10.033548 BFGS: 450 20:22:10 -458.195771 10.213765 BFGS: 451 20:22:11 -459.145020 10.410719 BFGS: 452 20:22:11 -460.111497 10.618239 BFGS: 453 20:22:11 -461.099247 10.815807 BFGS: 454 20:22:12 -462.105936 11.017490 BFGS: 455 20:22:13 -463.132511 11.223277 BFGS: 456 20:22:15 -464.180381 11.427398 BFGS: 457 20:22:15 -465.248592 11.636288 BFGS: 458 20:22:15 -466.342465 11.856190 BFGS: 459 20:22:15 -467.456161 12.089268 BFGS: 460 20:22:16 -468.594429 12.312097 BFGS: 461 20:22:16 -469.753153 12.542443 BFGS: 462 20:22:16 -470.941143 12.781332 BFGS: 463 20:22:17 -472.147263 13.054810 BFGS: 464 20:22:17 -473.381032 13.305136 BFGS: 465 20:22:17 -474.640325 13.552321 BFGS: 466 20:22:17 -475.926680 13.805053 BFGS: 467 20:22:18 -477.239674 14.062912 BFGS: 468 20:22:18 -478.580185 14.325995 BFGS: 469 20:22:18 -479.948929 14.594407 BFGS: 470 20:22:19 -481.346980 14.868382 BFGS: 471 20:22:19 -482.780853 15.161152 BFGS: 472 20:22:19 -484.238941 15.447602 BFGS: 473 20:22:20 -485.734274 15.739135 BFGS: 474 20:22:20 -487.257554 16.036144 BFGS: 475 20:22:21 -488.814565 16.338956 BFGS: 476 20:22:21 -490.405521 16.649351 BFGS: 477 20:22:21 -492.031601 16.968249 BFGS: 478 20:22:21 -493.691943 17.288204 BFGS: 479 20:22:22 -495.390396 17.615251 BFGS: 480 20:22:22 -497.126587 17.968429 BFGS: 481 20:22:22 -498.896326 18.330170 BFGS: 482 20:22:22 -500.707615 18.675183 BFGS: 483 20:22:22 -502.562059 19.026954 BFGS: 484 20:22:22 -504.461963 19.385557 BFGS: 485 20:22:23 -506.400703 19.749764 BFGS: 486 20:22:23 -508.383901 20.133919 BFGS: 487 20:22:23 -510.410772 20.516065 BFGS: 488 20:22:24 -512.488061 20.903759 BFGS: 489 20:22:24 -514.603888 21.291683 BFGS: 490 20:22:25 -516.768045 21.686890 BFGS: 491 20:22:25 -518.980783 22.091644 BFGS: 492 20:22:25 -521.243247 22.501176 BFGS: 493 20:22:26 -523.552074 22.909823 BFGS: 494 20:22:26 -525.915419 23.406067 BFGS: 495 20:22:27 -528.316291 23.820313 BFGS: 496 20:22:27 -530.778013 24.251236 BFGS: 497 20:22:27 -533.289958 24.680783 BFGS: 498 20:22:28 -535.855927 25.109889 BFGS: 499 20:22:28 -538.476956 25.539191 BFGS: 500 20:22:28 -541.147254 25.971134 BFGS: 501 20:22:29 -543.866338 26.402966 BFGS: 502 20:22:29 -546.635631 26.851108 BFGS: 503 20:22:29 -549.453173 27.287513 BFGS: 504 20:22:30 -552.318504 27.721971 BFGS: 505 20:22:30 -555.234582 28.149050 BFGS: 506 20:22:31 -558.194478 28.578586 BFGS: 507 20:22:31 -561.198969 29.006900 BFGS: 508 20:22:31 -564.243212 29.425407 BFGS: 509 20:22:32 -567.335436 29.869675 BFGS: 510 20:22:33 -570.460750 30.270301 BFGS: 511 20:22:33 -573.616054 30.662088 BFGS: 512 20:22:34 -576.797858 31.036634 BFGS: 513 20:22:34 -580.003736 31.399639 BFGS: 514 20:22:35 -583.231648 31.755789 BFGS: 515 20:22:36 -586.473437 32.100041 BFGS: 516 20:22:36 -589.720777 32.425795 BFGS: 517 20:22:37 -592.969456 32.718109 BFGS: 518 20:22:37 -596.211908 32.987324 BFGS: 519 20:22:38 -599.445298 33.268047 BFGS: 520 20:22:39 -602.660584 33.501724 BFGS: 521 20:22:40 -605.860971 33.720581 BFGS: 522 20:22:41 -609.027085 33.903262 BFGS: 523 20:22:42 -612.170470 34.046151 BFGS: 524 20:22:42 -615.259773 34.158974 BFGS: 525 20:22:42 -618.300281 34.218134 BFGS: 526 20:22:43 -621.284364 34.240388 BFGS: 527 20:22:43 -624.219641 34.239543 BFGS: 528 20:22:43 -627.096279 34.177710 BFGS: 529 20:22:43 -629.888345 34.072656 BFGS: 530 20:22:43 -632.571340 33.954970 BFGS: 531 20:22:43 -635.105368 33.773857 BFGS: 532 20:22:44 -637.538505 33.585049 BFGS: 533 20:22:45 -639.804645 33.322783 BFGS: 534 20:22:45 -642.000911 33.040947 BFGS: 535 20:22:45 -644.083718 32.717362 BFGS: 536 20:22:46 -646.124553 32.366354 BFGS: 537 20:22:46 -648.105294 31.987055 BFGS: 538 20:22:46 -650.063197 31.583103 BFGS: 539 20:22:47 -651.992542 31.214560 BFGS: 540 20:22:47 -653.890756 31.258185 BFGS: 541 20:22:48 -655.792185 31.250473 BFGS: 542 20:22:49 -657.652485 31.275041 BFGS: 543 20:22:50 -659.512811 31.271970 BFGS: 544 20:22:51 -661.339390 31.294245 BFGS: 545 20:22:52 -663.147305 31.308365 BFGS: 546 20:22:53 -664.933265 31.331303 BFGS: 547 20:22:54 -666.691673 31.363232 BFGS: 548 20:22:56 -668.435669 31.393082 BFGS: 549 20:22:56 -670.190945 31.390475 BFGS: 550 20:22:57 -671.964397 31.401980 BFGS: 551 20:22:58 -673.778081 31.378237 BFGS: 552 20:22:58 -675.619835 31.379586 BFGS: 553 20:22:59 -677.530402 31.337988 BFGS: 554 20:23:00 -679.473895 31.312200 BFGS: 555 20:23:02 -681.487484 31.268599 BFGS: 556 20:23:02 -683.581192 31.224756 BFGS: 557 20:23:03 -685.740941 31.135461 BFGS: 558 20:23:04 -687.942673 31.082050 BFGS: 559 20:23:05 -690.238440 30.953208 BFGS: 560 20:23:06 -692.549104 30.883446 BFGS: 561 20:23:07 -694.961743 30.702415 BFGS: 562 20:23:08 -697.316851 30.690802 BFGS: 563 20:23:08 -699.890069 30.367400 BFGS: 564 20:23:09 -702.210771 30.527136 BFGS: 565 20:23:09 -704.959336 30.027847 BFGS: 566 20:23:10 -707.347999 30.254454 BFGS: 567 20:23:10 -710.150932 29.901965 BFGS: 568 20:23:11 -712.838711 29.936754 BFGS: 569 20:23:11 -715.842254 29.585179 BFGS: 570 20:23:12 -718.971386 29.288141 BFGS: 571 20:23:13 -722.534307 28.437384 BFGS: 572 20:23:14 -725.955088 27.355581 BFGS: 573 20:23:15 -728.878486 25.914871 BFGS: 574 20:23:16 -731.184119 24.778444 BFGS: 575 20:23:16 -733.262104 23.562790 BFGS: 576 20:23:17 -735.025576 22.847809 BFGS: 577 20:23:18 -736.809290 21.780349 BFGS: 578 20:23:18 -738.292997 21.490279 BFGS: 579 20:23:19 -739.933816 20.543974 BFGS: 580 20:23:19 -741.307181 20.401760 BFGS: 581 20:23:20 -742.780528 19.814895 BFGS: 582 20:23:20 -744.126883 19.615030 BFGS: 583 20:23:21 -745.481020 19.264335 BFGS: 584 20:23:21 -746.787552 19.047956 BFGS: 585 20:23:22 -748.088813 19.139975 BFGS: 586 20:23:22 -749.358664 20.183146 BFGS: 587 20:23:23 -750.615888 21.098303 BFGS: 588 20:23:24 -751.879588 21.956919 BFGS: 589 20:23:24 -753.148207 22.703963 BFGS: 590 20:23:25 -754.431021 23.335638 BFGS: 591 20:23:26 -755.746316 23.840470 BFGS: 592 20:23:27 -757.102785 24.216615 BFGS: 593 20:23:28 -758.510141 24.397628 BFGS: 594 20:23:28 -759.986970 24.356499 BFGS: 595 20:23:29 -761.547228 23.991936 BFGS: 596 20:23:30 -763.198502 23.242427 BFGS: 597 20:23:30 -764.694627 22.101822 BFGS: 598 20:23:30 -766.039360 20.599476 BFGS: 599 20:23:31 -767.245444 18.788159 BFGS: 600 20:23:31 -768.339217 16.662245 BFGS: 601 20:23:32 -769.345058 14.234615 BFGS: 602 20:23:33 -770.290539 11.802134 BFGS: 603 20:23:33 -771.198341 11.853014 BFGS: 604 20:23:34 -772.109490 11.685031 BFGS: 605 20:23:35 -773.084112 11.215299 BFGS: 606 20:23:35 -774.340886 10.299363 BFGS: 607 20:23:36 -776.185714 10.707439 BFGS: 608 20:23:37 -778.333312 14.264532 BFGS: 609 20:23:37 -780.679604 17.024835 BFGS: 610 20:23:38 -783.073236 20.626550 BFGS: 611 20:23:39 -786.214152 22.422842 BFGS: 612 20:23:39 -789.919119 24.456230 BFGS: 613 20:23:41 -794.537023 25.768931 BFGS: 614 20:23:41 -800.169074 27.220715 BFGS: 615 20:23:42 -807.219370 28.508982 BFGS: 616 20:23:43 -815.837246 29.866874 BFGS: 617 20:23:44 -825.635648 31.005947 BFGS: 618 20:23:45 -832.871687 31.281289 BFGS: 619 20:23:46 -838.357969 30.133515 BFGS: 620 20:23:47 -842.603326 29.053467 BFGS: 621 20:23:47 -846.439466 28.918396 BFGS: 622 20:23:48 -850.167630 29.480272 BFGS: 623 20:23:49 -853.839308 30.095211 BFGS: 624 20:23:50 -857.448097 30.857573 BFGS: 625 20:23:51 -861.004129 31.607845 BFGS: 626 20:23:51 -864.530130 32.495844 BFGS: 627 20:23:52 -868.061261 33.507356 BFGS: 628 20:23:53 -871.637506 34.759497 BFGS: 629 20:23:53 -875.258309 36.192251 BFGS: 630 20:23:54 -878.923049 37.829406 BFGS: 631 20:23:54 -882.610294 39.597904 BFGS: 632 20:23:55 -886.339621 41.460264 BFGS: 633 20:23:56 -890.104057 43.364079 BFGS: 634 20:23:57 -893.973651 45.102029 BFGS: 635 20:23:58 -897.944993 46.684929 BFGS: 636 20:23:59 -902.156132 47.692177 BFGS: 637 20:24:00 -906.360797 48.515484 BFGS: 638 20:24:01 -910.190445 47.993116 BFGS: 639 20:24:02 -913.934171 48.106335 BFGS: 640 20:24:03 -917.327271 46.206134 BFGS: 641 20:24:03 -920.766253 45.138889 BFGS: 642 20:24:04 -924.050809 42.584850 BFGS: 643 20:24:05 -927.449181 39.967904 BFGS: 644 20:24:05 -930.901900 36.629634 BFGS: 645 20:24:05 -934.575191 34.449162 BFGS: 646 20:24:06 -938.462578 33.579875 BFGS: 647 20:24:06 -942.613627 32.020484 BFGS: 648 20:24:07 -946.970304 29.717933 BFGS: 649 20:24:08 -951.417264 26.780192 BFGS: 650 20:24:08 -955.759992 23.595689 BFGS: 651 20:24:09 -959.816454 22.536443 BFGS: 652 20:24:10 -962.966971 21.987373 BFGS: 653 20:24:10 -965.190217 21.312980 BFGS: 654 20:24:11 -966.901250 20.355650 BFGS: 655 20:24:11 -968.372053 19.037062 BFGS: 656 20:24:12 -969.729714 17.383907 BFGS: 657 20:24:12 -971.017095 15.363489 BFGS: 658 20:24:13 -972.254111 13.039342 BFGS: 659 20:24:13 -973.429702 12.954461 BFGS: 660 20:24:14 -974.532783 12.701332 BFGS: 661 20:24:14 -975.538693 12.010104 BFGS: 662 20:24:15 -976.449807 10.872523 BFGS: 663 20:24:16 -977.241802 9.928008 BFGS: 664 20:24:17 -977.953029 9.776020 BFGS: 665 20:24:17 -978.560920 9.713998 BFGS: 666 20:24:18 -979.121592 10.583386 BFGS: 667 20:24:18 -979.637394 10.704897 BFGS: 668 20:24:19 -980.129385 11.431558 BFGS: 669 20:24:19 -980.609059 11.754614 BFGS: 670 20:24:20 -981.078332 12.080458 BFGS: 671 20:24:21 -981.542350 12.233116 BFGS: 672 20:24:21 -981.995229 12.289032 BFGS: 673 20:24:22 -982.435498 12.191409 BFGS: 674 20:24:22 -982.855669 11.986675 BFGS: 675 20:24:23 -983.254598 12.416177 BFGS: 676 20:24:23 -983.632145 12.717253 BFGS: 677 20:24:24 -983.994724 12.778701 BFGS: 678 20:24:25 -984.351636 12.626048 BFGS: 679 20:24:25 -984.718682 12.196703 BFGS: 680 20:24:25 -985.109361 11.443876 BFGS: 681 20:24:26 -985.585625 10.356883 BFGS: 682 20:24:27 -986.125785 10.439567 BFGS: 683 20:24:27 -986.647246 13.898910 BFGS: 684 20:24:28 -988.652141 12.452511 BFGS: 685 20:24:29 -990.621370 13.688117 BFGS: 686 20:24:29 -992.614322 15.611314 BFGS: 687 20:24:30 -994.534336 17.714441 BFGS: 688 20:24:31 -996.430967 19.829551 BFGS: 689 20:24:31 -998.283712 21.898368 BFGS: 690 20:24:32 -1000.116009 23.891188 BFGS: 691 20:24:33 -1001.921637 25.790137 BFGS: 692 20:24:33 -1003.715398 27.580461 BFGS: 693 20:24:34 -1005.507166 29.253640 BFGS: 694 20:24:34 -1007.293269 30.824236 BFGS: 695 20:24:35 -1009.140862 32.289366 BFGS: 696 20:24:36 -1011.049662 33.633684 BFGS: 697 20:24:37 -1013.045122 34.884091 BFGS: 698 20:24:38 -1015.207064 36.032122 BFGS: 699 20:24:39 -1017.579347 37.073170 BFGS: 700 20:24:39 -1020.175193 37.915196 BFGS: 701 20:24:40 -1022.523852 38.246595 BFGS: 702 20:24:40 -1024.739467 37.966513 BFGS: 703 20:24:41 -1026.869566 37.007357 BFGS: 704 20:24:42 -1028.942857 35.308128 BFGS: 705 20:24:42 -1030.949776 32.898034 BFGS: 706 20:24:43 -1032.871701 29.812315 BFGS: 707 20:24:44 -1034.685988 26.190684 BFGS: 708 20:24:45 -1036.369332 22.207848 BFGS: 709 20:24:46 -1037.878123 18.170593 BFGS: 710 20:24:47 -1039.215160 16.213177 BFGS: 711 20:24:47 -1040.371255 16.113011 BFGS: 712 20:24:48 -1041.380536 16.349170 BFGS: 713 20:24:49 -1042.305115 16.501139 BFGS: 714 20:24:50 -1043.289153 16.391845 BFGS: 715 20:24:50 -1044.368423 19.369804 BFGS: 716 20:24:51 -1045.789285 19.152146 BFGS: 717 20:24:52 -1047.357069 21.759565 BFGS: 718 20:24:52 -1049.463949 23.624695 BFGS: 719 20:24:53 -1051.111553 21.500634 BFGS: 720 20:24:53 -1052.240977 19.329580 BFGS: 721 20:24:54 -1053.041346 17.400446 BFGS: 722 20:24:55 -1053.723268 16.019939 BFGS: 723 20:24:55 -1054.323653 14.955843 BFGS: 724 20:24:56 -1054.880512 14.293797 BFGS: 725 20:24:56 -1055.403962 14.253030 BFGS: 726 20:24:56 -1055.906248 14.164000 BFGS: 727 20:24:57 -1056.390355 14.040378 BFGS: 728 20:24:57 -1056.863439 13.880449 BFGS: 729 20:24:58 -1057.322938 13.706740 BFGS: 730 20:24:58 -1057.776333 13.495721 BFGS: 731 20:24:59 -1058.223036 13.454994 BFGS: 732 20:25:00 -1058.668084 13.650625 BFGS: 733 20:25:01 -1059.109314 13.825286 BFGS: 734 20:25:02 -1059.549443 13.904054 BFGS: 735 20:25:03 -1059.988030 13.942937 BFGS: 736 20:25:03 -1060.429408 13.915050 BFGS: 737 20:25:03 -1060.874191 13.846360 BFGS: 738 20:25:04 -1061.323302 13.736584 BFGS: 739 20:25:04 -1061.781996 13.548490 BFGS: 740 20:25:05 -1062.251138 13.341431 BFGS: 741 20:25:05 -1062.740390 13.021733 BFGS: 742 20:25:06 -1063.257561 12.641568 BFGS: 743 20:25:06 -1063.811663 12.498689 BFGS: 744 20:25:07 -1064.434972 12.383496 BFGS: 745 20:25:07 -1065.167999 12.287353 BFGS: 746 20:25:07 -1066.128286 12.237269 BFGS: 747 20:25:08 -1067.539596 12.397002 BFGS: 748 20:25:08 -1069.152493 16.131376 BFGS: 749 20:25:09 -1070.745417 18.351851 BFGS: 750 20:25:09 -1072.100815 18.769068 BFGS: 751 20:25:10 -1073.836538 18.921491 BFGS: 752 20:25:10 -1075.076403 17.833873 BFGS: 753 20:25:11 -1076.828671 15.779697 BFGS: 754 20:25:11 -1078.690818 14.717771 BFGS: 755 20:25:11 -1081.267742 14.661357 BFGS: 756 20:25:12 -1082.765130 14.863326 BFGS: 757 20:25:12 -1083.531492 16.329102 BFGS: 758 20:25:13 -1083.920314 16.658160 BFGS: 759 20:25:14 -1084.221177 16.989571 BFGS: 760 20:25:14 -1084.424050 15.785853 BFGS: 761 20:25:15 -1084.604081 15.798221 BFGS: 762 20:25:15 -1084.699075 15.126451 BFGS: 763 20:25:16 -1084.767183 14.907153 BFGS: 764 20:25:16 -1084.834997 14.707566 BFGS: 765 20:25:17 -1084.902458 14.670062 BFGS: 766 20:25:17 -1084.969725 14.750280 BFGS: 767 20:25:17 -1085.010485 14.851790 BFGS: 768 20:25:18 -1085.039566 14.953945 BFGS: 769 20:25:18 -1085.057409 15.012719 BFGS: 770 20:25:18 -1085.071727 15.073944 BFGS: 771 20:25:19 -1085.079016 15.079583 BFGS: 772 20:25:19 -1085.083528 15.088803 BFGS: 773 20:25:20 -1085.084585 15.085769 BFGS: 774 20:25:21 -1085.090671 15.106549 BFGS: 775 20:25:21 -1085.102293 15.110827 BFGS: 776 20:25:22 -1085.126497 15.124918 BFGS: 777 20:25:22 -1085.192643 15.135291 BFGS: 778 20:25:23 -1085.343245 15.066803 BFGS: 779 20:25:23 -1085.677710 14.714814 BFGS: 780 20:25:24 -1086.329299 13.929008 BFGS: 781 20:25:24 -1087.370917 11.704675 BFGS: 782 20:25:25 -1088.850686 9.107092 BFGS: 783 20:25:25 -1090.438594 7.607876 BFGS: 784 20:25:26 -1091.610958 7.810285 BFGS: 785 20:25:26 -1092.118247 5.328826 BFGS: 786 20:25:26 -1092.313195 4.085760 BFGS: 787 20:25:27 -1092.348582 4.205704 BFGS: 788 20:25:27 -1092.362271 4.225046 BFGS: 789 20:25:28 -1092.371905 4.216447 BFGS: 790 20:25:29 -1092.377382 4.195756 BFGS: 791 20:25:29 -1092.382289 4.150831 BFGS: 792 20:25:29 -1092.384555 4.116960 BFGS: 793 20:25:30 -1092.385949 4.073874 BFGS: 794 20:25:30 -1092.386482 4.049681 BFGS: 795 20:25:31 -1092.386907 4.006623 BFGS: 796 20:25:31 -1092.387033 3.994346 BFGS: 797 20:25:32 -1092.387666 3.946748 BFGS: 798 20:25:32 -1092.388578 3.932834 BFGS: 799 20:25:33 -1092.391325 4.057100 BFGS: 800 20:25:33 -1092.397910 4.237322 BFGS: 801 20:25:34 -1092.415544 4.519277 BFGS: 802 20:25:34 -1092.460832 4.903024 BFGS: 803 20:25:35 -1092.569629 5.377599 BFGS: 804 20:25:35 -1092.695467 5.729082 BFGS: 805 20:25:36 -1092.839314 6.177102 BFGS: 806 20:25:36 -1092.995973 6.442902 BFGS: 807 20:25:37 -1093.161115 6.573288 BFGS: 808 20:25:37 -1093.330933 6.598411 BFGS: 809 20:25:38 -1093.502634 6.538489 BFGS: 810 20:25:38 -1093.673495 6.413448 BFGS: 811 20:25:39 -1093.841214 6.235859 BFGS: 812 20:25:39 -1094.004003 6.019893 BFGS: 813 20:25:40 -1094.160443 5.770590 BFGS: 814 20:25:40 -1094.309337 5.496533 BFGS: 815 20:25:41 -1094.449924 5.188947 BFGS: 816 20:25:41 -1094.581277 4.896827 BFGS: 817 20:25:41 -1094.703225 4.578904 BFGS: 818 20:25:42 -1094.815616 4.232230 BFGS: 819 20:25:43 -1094.917857 3.924098 BFGS: 820 20:25:43 -1095.010102 3.576387 BFGS: 821 20:25:43 -1095.092208 3.244738 BFGS: 822 20:25:44 -1095.164056 2.902530 BFGS: 823 20:25:45 -1095.225689 2.555114 BFGS: 824 20:25:46 -1095.277251 2.205985 BFGS: 825 20:25:46 -1095.318767 2.062266 BFGS: 826 20:25:47 -1095.350512 1.949172 BFGS: 827 20:25:47 -1095.372928 2.190424 BFGS: 828 20:25:48 -1095.386641 2.542504 BFGS: 829 20:25:48 -1095.392879 2.799055 BFGS: 830 20:25:49 -1095.395131 2.878355 BFGS: 831 20:25:49 -1095.397368 2.982939 BFGS: 832 20:25:50 -1095.398639 3.000120 BFGS: 833 20:25:50 -1095.405667 3.000253 BFGS: 834 20:25:51 -1095.417743 2.871743 BFGS: 835 20:25:52 -1095.443321 2.468758 BFGS: 836 20:25:52 -1095.488725 1.550474 BFGS: 837 20:25:53 -1095.539568 1.524795 BFGS: 838 20:25:53 -1095.578294 1.497461 BFGS: 839 20:25:54 -1095.594935 0.924696 BFGS: 840 20:25:54 -1095.598974 0.347686 BFGS: 841 20:25:55 -1095.599742 0.097133 BFGS: 842 20:25:56 -1095.599838 0.024179 BFGS: 843 20:25:56 -1095.599847 0.004996 BFGS: 844 20:25:57 -1095.599847 0.000260 BFGS: 845 20:25:58 -1095.599847 0.000047 BFGS: 846 20:25:58 -1095.599847 0.000015 BFGS: 847 20:25:59 -1095.599847 0.000001 BFGS: 848 20:25:59 -1095.599847 0.000001 BFGS: 849 20:26:00 -1095.599847 0.000000 BFGS: 850 20:26:00 -1095.599847 0.000000 BFGS: 851 20:26:01 -1095.599847 0.000000 Minimization converged after 851 steps. Maximum force component: 9.560271724068054e-09 eV/Angstrom Maximum stress component: 1.2379228396186055e-09 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['B', 'B', 'B', 'B', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N'] basis = [[3.08148791e-33 3.61116719e-01 3.13378636e-01] [0.00000000e+00 6.38883281e-01 8.13378636e-01] [5.00000000e-01 8.61116719e-01 3.13378636e-01] [5.00000000e-01 1.38883281e-01 8.13378636e-01] [4.22199955e-33 6.17314338e-01 1.25474845e-01] [0.00000000e+00 3.82685662e-01 6.25474845e-01] [5.00000000e-01 1.17314338e-01 1.25474845e-01] [5.00000000e-01 8.82685662e-01 6.25474845e-01] [0.00000000e+00 1.35720649e-01 7.03177945e-01] [6.87678889e-35 8.64279351e-01 2.03177945e-01] [5.00000000e-01 6.35720649e-01 7.03177945e-01] [5.00000000e-01 3.64279351e-01 2.03177945e-01] [2.99953632e-01 7.17458070e-01 6.44775383e-01] [7.00046368e-01 2.82541930e-01 1.44775383e-01] [2.99953632e-01 2.82541930e-01 1.44775383e-01] [7.00046368e-01 7.17458070e-01 6.44775383e-01] [7.99953632e-01 2.17458070e-01 6.44775383e-01] [2.00046368e-01 7.82541930e-01 1.44775383e-01] [7.99953632e-01 7.82541930e-01 1.44775383e-01] [2.00046368e-01 2.17458070e-01 6.44775383e-01] [8.79937408e-01 6.42143820e-01 2.58970451e-02] [1.20062592e-01 3.57856180e-01 5.25897045e-01] [8.79937408e-01 3.57856180e-01 5.25897045e-01] [1.20062592e-01 6.42143820e-01 2.58970451e-02] [3.79937408e-01 1.42143820e-01 2.58970451e-02] [6.20062592e-01 8.57856180e-01 5.25897045e-01] [3.79937408e-01 8.57856180e-01 5.25897045e-01] [6.20062592e-01 1.42143820e-01 2.58970451e-02] [4.10423623e-35 1.38981707e-01 3.53082729e-02] [0.00000000e+00 8.61018293e-01 5.35308273e-01] [5.00000000e-01 6.38981707e-01 3.53082729e-02] [5.00000000e-01 3.61018293e-01 5.35308273e-01]] cellpar = Cell([2.5276239208070828, 1.8759669577612292, 5.12271166693394]) forces = [[ 0.00000000e+00 7.90668147e-09 9.56027172e-09] [ 0.00000000e+00 -7.90668147e-09 9.56027172e-09] [ 0.00000000e+00 7.90668147e-09 9.56027172e-09] [ 0.00000000e+00 -7.90668147e-09 9.56027172e-09] [ 0.00000000e+00 -1.35327281e-09 -2.58076858e-09] [ 0.00000000e+00 1.35327281e-09 -2.58076858e-09] [ 0.00000000e+00 -1.35327281e-09 -2.58076858e-09] [ 0.00000000e+00 1.35327281e-09 -2.58076858e-09] [-1.59515496e-29 8.79717714e-09 -2.79853569e-09] [ 7.97577478e-30 -8.79717714e-09 -2.79853569e-09] [-6.38061982e-29 8.79717714e-09 -2.79853569e-09] [ 0.00000000e+00 -8.79717714e-09 -2.79853569e-09] [ 6.02841870e-09 -2.43743677e-09 -2.33648851e-09] [-6.02841870e-09 2.43743677e-09 -2.33648851e-09] [ 6.02841870e-09 2.43743677e-09 -2.33648851e-09] [-6.02841870e-09 -2.43743677e-09 -2.33648851e-09] [ 6.02841870e-09 -2.43743677e-09 -2.33648851e-09] [-6.02841870e-09 2.43743677e-09 -2.33648851e-09] [ 6.02841870e-09 2.43743677e-09 -2.33648851e-09] [-6.02841870e-09 -2.43743677e-09 -2.33648851e-09] [ 1.91437402e-09 8.04377509e-11 -2.91374303e-09] [-1.91437402e-09 -8.04377509e-11 -2.91374303e-09] [ 1.91437402e-09 -8.04377509e-11 -2.91374303e-09] [-1.91437402e-09 8.04377509e-11 -2.91374303e-09] [ 1.91437402e-09 8.04377509e-11 -2.91374303e-09] [-1.91437402e-09 -8.04377509e-11 -2.91374303e-09] [ 1.91437402e-09 -8.04377509e-11 -2.91374303e-09] [-1.91437402e-09 8.04377509e-11 -2.91374303e-09] [ 0.00000000e+00 -7.30918315e-10 6.31949312e-09] [ 0.00000000e+00 7.30918315e-10 6.31949312e-09] [ 0.00000000e+00 -7.30918315e-10 6.31949312e-09] [ 0.00000000e+00 7.30918315e-10 6.31949312e-09]] stress = [-1.23792284e-09 -4.77215767e-10 3.26841637e-10 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -34.2374952278281 =============================================== 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 Parameter sets [2] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 2