element(s): ['Cl', 'O'] AFLOW prototype label: AB3_mC32_9_2a_6a Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.7931', '1.5736997', '1.8069773', '107.3511', '0.37658709', '0.81207099', '0.12324603', '0.10327972', '0.68180079', '0.35828784', '0.73061556', '0.43277426', '0.055663298', '0.29714049', '0.66622356', '0.078876112', '0.19429186', '0.67665148', '0.50647204', '0.68309904', '0.053466604', '0.30242802', '0.20803064', '0.81492021', '0.3155241', '0.8422556', '0.69263958', '0.31790256'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cl', 'Cl', 'O', 'O', 'O', 'O', 'O', 'O'] representative atom coordinates = [[0.37658709 0.81207099 0.12324603] [0.60327972 0.18180079 0.35828784] [0.23061556 0.93277426 0.0556633 ] [0.79714049 0.16622356 0.07887611] [0.69429186 0.17665148 0.50647204] [0.68309904 0.0534666 0.30242802] [0.70803064 0.31492021 0.3155241 ] [0.8422556 0.69263958 0.31790256]] spacegroup = 9 cell = [[5.7931, 0, 0], [0, 9.1166, 0], [-3.1218326128195, 0, 9.9916557755727]] ========================================= Step Time Energy fmax BFGS: 0 16:54:57 72.107787 163.123557 BFGS: 1 16:54:57 -46.609009 74.087608 BFGS: 2 16:54:57 -68.227205 77.412000 BFGS: 3 16:54:57 -76.252194 106.085430 BFGS: 4 16:54:58 -102.129499 79.196462 BFGS: 5 16:54:58 -112.583580 77.977777 BFGS: 6 16:54:58 -124.539086 59.666453 BFGS: 7 16:54:58 -133.719277 46.284126 BFGS: 8 16:54:58 -141.550719 32.492388 BFGS: 9 16:54:58 -147.911531 21.191622 BFGS: 10 16:54:58 -152.795930 14.044223 BFGS: 11 16:54:59 -157.791620 9.616174 BFGS: 12 16:54:59 -161.317112 8.017755 BFGS: 13 16:54:59 -164.375204 7.086145 BFGS: 14 16:54:59 -167.257692 7.334379 BFGS: 15 16:54:59 -170.063584 8.116396 BFGS: 16 16:54:59 -172.825546 8.831715 BFGS: 17 16:54:59 -175.563486 9.510546 BFGS: 18 16:54:59 -178.142773 10.148296 BFGS: 19 16:54:59 -180.506304 10.735158 BFGS: 20 16:54:59 -182.800934 11.312937 BFGS: 21 16:54:59 -185.003053 11.900254 BFGS: 22 16:54:59 -187.043446 12.505583 BFGS: 23 16:54:59 -188.993337 13.133111 BFGS: 24 16:55:00 -190.960026 13.782465 BFGS: 25 16:55:00 -192.856504 14.418388 BFGS: 26 16:55:00 -196.234034 15.260712 BFGS: 27 16:55:00 -200.275519 16.112052 BFGS: 28 16:55:00 -204.890506 16.676873 BFGS: 29 16:55:00 -209.825975 16.301518 BFGS: 30 16:55:01 -213.482972 14.743527 BFGS: 31 16:55:01 -216.136590 13.111161 BFGS: 32 16:55:01 -218.459668 12.155105 BFGS: 33 16:55:01 -220.687968 13.343812 BFGS: 34 16:55:02 -222.840179 14.586959 BFGS: 35 16:55:02 -224.953096 15.916957 BFGS: 36 16:55:02 -227.052562 17.440332 BFGS: 37 16:55:03 -229.124813 19.206299 BFGS: 38 16:55:03 -231.132372 21.191382 BFGS: 39 16:55:03 -233.057536 23.369921 BFGS: 40 16:55:04 -234.880220 25.634483 BFGS: 41 16:55:04 -236.605444 27.928899 BFGS: 42 16:55:04 -238.258219 30.221985 BFGS: 43 16:55:04 -239.874315 32.616997 BFGS: 44 16:55:05 -241.449370 35.083031 BFGS: 45 16:55:05 -242.951508 37.567913 BFGS: 46 16:55:06 -244.317161 40.178152 BFGS: 47 16:55:06 -245.552094 43.290010 BFGS: 48 16:55:07 -246.726865 45.443708 BFGS: 49 16:55:07 -247.954038 46.939416 BFGS: 50 16:55:07 -249.198189 48.105842 BFGS: 51 16:55:07 -250.477527 48.820901 BFGS: 52 16:55:08 -251.752274 49.482341 BFGS: 53 16:55:08 -253.029164 49.448705 BFGS: 54 16:55:08 -254.301091 49.792958 BFGS: 55 16:55:08 -255.537046 49.174923 BFGS: 56 16:55:09 -256.792255 49.046057 BFGS: 57 16:55:09 -258.015959 48.408419 BFGS: 58 16:55:09 -259.260170 47.894307 BFGS: 59 16:55:09 -260.498672 47.215900 BFGS: 60 16:55:10 -261.749579 46.496238 BFGS: 61 16:55:10 -263.000078 45.674599 BFGS: 62 16:55:10 -264.248033 44.847512 BFGS: 63 16:55:10 -265.366263 44.302450 BFGS: 64 16:55:11 -266.435848 43.886045 BFGS: 65 16:55:11 -267.468708 43.258886 BFGS: 66 16:55:12 -268.502320 42.577355 BFGS: 67 16:55:12 -269.539778 41.998979 BFGS: 68 16:55:12 -270.635912 41.530684 BFGS: 69 16:55:12 -271.856476 40.764837 BFGS: 70 16:55:13 -273.092130 40.099922 BFGS: 71 16:55:13 -274.337537 39.329074 BFGS: 72 16:55:13 -275.563870 38.517190 BFGS: 73 16:55:14 -276.773686 37.653152 BFGS: 74 16:55:14 -277.971874 36.755385 BFGS: 75 16:55:14 -279.164679 35.834863 BFGS: 76 16:55:14 -280.360576 34.894552 BFGS: 77 16:55:15 -281.561656 33.935971 BFGS: 78 16:55:15 -282.774018 32.957080 BFGS: 79 16:55:15 -283.996355 31.968511 BFGS: 80 16:55:16 -285.229172 30.969800 BFGS: 81 16:55:16 -286.470813 29.969401 BFGS: 82 16:55:16 -287.718073 28.973542 BFGS: 83 16:55:16 -288.969392 27.986411 BFGS: 84 16:55:16 -290.223782 27.011659 BFGS: 85 16:55:17 -291.480270 26.052199 BFGS: 86 16:55:17 -292.735581 25.113705 BFGS: 87 16:55:18 -293.989255 24.197136 BFGS: 88 16:55:19 -295.240248 23.304386 BFGS: 89 16:55:19 -296.487873 22.436481 BFGS: 90 16:55:19 -297.732051 21.594910 BFGS: 91 16:55:20 -298.971131 20.777534 BFGS: 92 16:55:20 -300.208103 19.984542 BFGS: 93 16:55:20 -301.444223 19.215569 BFGS: 94 16:55:21 -302.679194 18.687011 BFGS: 95 16:55:21 -303.916089 18.770603 BFGS: 96 16:55:22 -305.153829 18.824963 BFGS: 97 16:55:22 -306.393347 18.854285 BFGS: 98 16:55:22 -307.639979 18.851706 BFGS: 99 16:55:23 -308.894151 18.810227 BFGS: 100 16:55:23 -310.155052 18.729798 BFGS: 101 16:55:24 -311.423654 18.605177 BFGS: 102 16:55:24 -312.701856 18.434259 BFGS: 103 16:55:24 -313.986959 18.214948 BFGS: 104 16:55:25 -315.279911 17.944813 BFGS: 105 16:55:25 -316.580159 17.627147 BFGS: 106 16:55:25 -317.886194 17.264595 BFGS: 107 16:55:25 -319.195776 16.866026 BFGS: 108 16:55:26 -320.507702 16.434150 BFGS: 109 16:55:26 -321.819971 15.978622 BFGS: 110 16:55:27 -323.130912 15.561619 BFGS: 111 16:55:27 -324.436408 15.524345 BFGS: 112 16:55:27 -325.736370 15.463724 BFGS: 113 16:55:28 -327.031981 15.379382 BFGS: 114 16:55:28 -328.322665 15.269718 BFGS: 115 16:55:28 -329.606310 15.132899 BFGS: 116 16:55:29 -330.885953 14.964619 BFGS: 117 16:55:29 -332.163510 14.762099 BFGS: 118 16:55:30 -333.443773 14.508972 BFGS: 119 16:55:30 -334.733944 14.190219 BFGS: 120 16:55:30 -336.046287 13.770069 BFGS: 121 16:55:31 -337.398952 13.165734 BFGS: 122 16:55:31 -338.811439 12.313056 BFGS: 123 16:55:32 -340.243611 11.612340 BFGS: 124 16:55:32 -341.612091 10.879206 BFGS: 125 16:55:33 -342.942672 10.373988 BFGS: 126 16:55:33 -344.238306 9.689722 BFGS: 127 16:55:33 -345.454564 9.017006 BFGS: 128 16:55:34 -346.604792 8.361029 BFGS: 129 16:55:34 -347.690875 7.782362 BFGS: 130 16:55:35 -348.718214 7.630785 BFGS: 131 16:55:36 -349.695598 7.469813 BFGS: 132 16:55:36 -350.631217 7.299162 BFGS: 133 16:55:37 -351.533106 7.119666 BFGS: 134 16:55:37 -352.409815 6.940816 BFGS: 135 16:55:38 -353.249961 6.763912 BFGS: 136 16:55:38 -354.048606 6.588075 BFGS: 137 16:55:38 -354.812980 6.418152 BFGS: 138 16:55:39 -355.547527 6.251496 BFGS: 139 16:55:39 -356.256422 6.092437 BFGS: 140 16:55:40 -356.940719 5.939105 BFGS: 141 16:55:40 -357.602198 5.978272 BFGS: 142 16:55:41 -358.242153 6.270217 BFGS: 143 16:55:42 -358.861721 6.546073 BFGS: 144 16:55:42 -359.460989 6.811763 BFGS: 145 16:55:43 -360.038540 7.055830 BFGS: 146 16:55:43 -360.596080 7.286386 BFGS: 147 16:55:43 -361.132033 7.498825 BFGS: 148 16:55:44 -361.653563 7.697114 BFGS: 149 16:55:45 -362.160917 7.885719 BFGS: 150 16:55:45 -362.648992 8.058816 BFGS: 151 16:55:45 -363.134909 8.228457 BFGS: 152 16:55:46 -363.603528 8.385057 BFGS: 153 16:55:46 -364.058399 8.528576 BFGS: 154 16:55:46 -364.514220 8.667347 BFGS: 155 16:55:47 -364.953328 8.789741 BFGS: 156 16:55:47 -365.408112 8.919479 BFGS: 157 16:55:47 -365.833046 9.024787 BFGS: 158 16:55:48 -366.376731 9.236188 BFGS: 159 16:55:48 -366.891684 9.419710 BFGS: 160 16:55:48 -367.413167 9.607320 BFGS: 161 16:55:49 -367.951272 9.804541 BFGS: 162 16:55:49 -368.525314 10.025707 BFGS: 163 16:55:50 -369.122855 10.255467 BFGS: 164 16:55:50 -369.758916 10.503941 BFGS: 165 16:55:50 -370.439341 10.773173 BFGS: 166 16:55:51 -371.166080 11.063043 BFGS: 167 16:55:51 -371.929061 11.365584 BFGS: 168 16:55:51 -372.713334 11.673510 BFGS: 169 16:55:52 -373.492447 11.973490 BFGS: 170 16:55:52 -374.249254 12.261083 BFGS: 171 16:55:53 -374.968295 12.531564 BFGS: 172 16:55:53 -375.641876 12.782370 BFGS: 173 16:55:54 -376.271000 13.014738 BFGS: 174 16:55:54 -376.857668 13.227103 BFGS: 175 16:55:55 -377.397403 13.412536 BFGS: 176 16:55:55 -377.913452 13.591694 BFGS: 177 16:55:56 -379.172093 14.352689 BFGS: 178 16:55:57 -380.003785 14.757482 BFGS: 179 16:55:57 -381.054674 15.346655 BFGS: 180 16:55:57 -382.066492 15.907415 BFGS: 181 16:55:58 -383.092194 16.488266 BFGS: 182 16:55:58 -384.225080 17.168462 BFGS: 183 16:55:58 -385.311713 17.813148 BFGS: 184 16:55:59 -386.393902 18.456301 BFGS: 185 16:55:59 -387.332836 18.978757 BFGS: 186 16:55:59 -388.373532 19.600891 BFGS: 187 16:56:00 -389.537326 20.341886 BFGS: 188 16:56:00 -390.767640 21.144825 BFGS: 189 16:56:01 -391.854712 21.805085 BFGS: 190 16:56:01 -392.825449 22.357425 BFGS: 191 16:56:02 -393.671806 22.795140 BFGS: 192 16:56:02 -394.451624 23.177527 BFGS: 193 16:56:03 -395.249178 23.591824 BFGS: 194 16:56:03 -396.177428 24.157996 BFGS: 195 16:56:04 -397.334795 24.972492 BFGS: 196 16:56:04 -398.651321 25.935852 BFGS: 197 16:56:05 -399.872961 26.763236 BFGS: 198 16:56:05 -400.861980 27.312089 BFGS: 199 16:56:05 -401.658023 27.654116 BFGS: 200 16:56:05 -402.405856 27.972701 BFGS: 201 16:56:06 -403.145286 28.337437 BFGS: 202 16:56:06 -404.641390 30.140698 BFGS: 203 16:56:07 -405.904879 31.944263 BFGS: 204 16:56:07 -407.364278 33.523953 BFGS: 205 16:56:07 -408.659522 34.775404 BFGS: 206 16:56:08 -410.077158 36.008798 BFGS: 207 16:56:08 -411.342606 36.774215 BFGS: 208 16:56:08 -412.554491 37.566541 BFGS: 209 16:56:09 -413.819905 38.316149 BFGS: 210 16:56:10 -415.014004 38.895561 BFGS: 211 16:56:10 -416.095653 39.276063 BFGS: 212 16:56:11 -417.043857 39.481552 BFGS: 213 16:56:11 -417.910865 39.566180 BFGS: 214 16:56:12 -418.725696 39.565164 BFGS: 215 16:56:13 -419.508832 39.507083 BFGS: 216 16:56:13 -420.277742 39.406723 BFGS: 217 16:56:13 -421.036155 39.273082 BFGS: 218 16:56:14 -421.785832 39.120784 BFGS: 219 16:56:14 -422.527402 38.954859 BFGS: 220 16:56:14 -423.255209 38.779537 BFGS: 221 16:56:15 -423.968467 38.595912 BFGS: 222 16:56:15 -424.603814 38.348170 BFGS: 223 16:56:16 -425.208012 38.106083 BFGS: 224 16:56:16 -425.803886 37.863752 BFGS: 225 16:56:17 -426.405295 37.627305 BFGS: 226 16:56:17 -427.029434 37.372170 BFGS: 227 16:56:17 -427.683073 37.091086 BFGS: 228 16:56:17 -428.387725 36.778524 BFGS: 229 16:56:18 -429.159973 36.430177 BFGS: 230 16:56:19 -430.047801 36.030041 BFGS: 231 16:56:20 -431.074756 35.553355 BFGS: 232 16:56:20 -432.166653 35.053921 BFGS: 233 16:56:21 -433.222767 34.608295 BFGS: 234 16:56:21 -434.266165 34.212862 BFGS: 235 16:56:22 -435.394482 33.829889 BFGS: 236 16:56:22 -436.864584 33.389767 BFGS: 237 16:56:23 -438.683513 32.782626 BFGS: 238 16:56:24 -440.519775 32.117420 BFGS: 239 16:56:24 -442.449200 31.391305 BFGS: 240 16:56:25 -444.975647 30.266197 BFGS: 241 16:56:26 -448.194641 27.049466 BFGS: 242 16:56:26 -450.325340 25.096858 BFGS: 243 16:56:27 -452.287031 23.570866 BFGS: 244 16:56:27 -453.466620 22.970311 BFGS: 245 16:56:28 -454.842725 22.934093 BFGS: 246 16:56:28 -455.968123 22.948270 BFGS: 247 16:56:29 -457.210307 22.937472 BFGS: 248 16:56:30 -458.371344 22.934429 BFGS: 249 16:56:30 -459.562117 22.911951 BFGS: 250 16:56:31 -460.710546 22.879868 BFGS: 251 16:56:31 -461.839829 22.831044 BFGS: 252 16:56:32 -462.921683 23.280901 BFGS: 253 16:56:32 -463.954618 23.775851 BFGS: 254 16:56:32 -464.949504 24.229261 BFGS: 255 16:56:33 -465.899485 24.648844 BFGS: 256 16:56:33 -466.818056 25.031205 BFGS: 257 16:56:34 -467.699611 25.380670 BFGS: 258 16:56:34 -468.559564 25.700217 BFGS: 259 16:56:34 -469.395318 25.996633 BFGS: 260 16:56:35 -470.203840 26.270881 BFGS: 261 16:56:36 -471.006436 26.520704 BFGS: 262 16:56:36 -471.792899 26.757792 BFGS: 263 16:56:36 -472.574082 26.975679 BFGS: 264 16:56:37 -473.343467 27.184316 BFGS: 265 16:56:37 -474.113270 27.378739 BFGS: 266 16:56:38 -474.879279 27.561404 BFGS: 267 16:56:38 -475.645386 27.734806 BFGS: 268 16:56:39 -476.413723 27.897931 BFGS: 269 16:56:40 -477.183351 28.048854 BFGS: 270 16:56:40 -477.945878 28.191842 BFGS: 271 16:56:40 -478.725589 28.315372 BFGS: 272 16:56:41 -479.511039 28.426598 BFGS: 273 16:56:42 -480.303906 28.585499 BFGS: 274 16:56:42 -481.110471 28.750578 BFGS: 275 16:56:43 -481.922371 28.911592 BFGS: 276 16:56:43 -482.752623 29.042376 BFGS: 277 16:56:44 -483.578780 29.188588 BFGS: 278 16:56:44 -484.427562 29.287662 BFGS: 279 16:56:44 -485.281831 29.391200 BFGS: 280 16:56:45 -486.163142 29.441593 BFGS: 281 16:56:45 -487.045083 29.506429 BFGS: 282 16:56:46 -487.957064 29.512863 BFGS: 283 16:56:47 -488.867762 29.539376 BFGS: 284 16:56:47 -489.820717 29.485400 BFGS: 285 16:56:48 -490.763149 29.476485 BFGS: 286 16:56:49 -491.778975 29.328904 BFGS: 287 16:56:49 -492.742296 29.320048 BFGS: 288 16:56:49 -493.846250 29.043027 BFGS: 289 16:56:50 -494.848378 29.001806 BFGS: 290 16:56:51 -495.983176 28.724659 BFGS: 291 16:56:51 -497.092229 28.537505 BFGS: 292 16:56:51 -498.229035 28.247185 BFGS: 293 16:56:52 -499.358732 27.981908 BFGS: 294 16:56:52 -500.477710 27.667870 BFGS: 295 16:56:53 -501.591315 27.357357 BFGS: 296 16:56:53 -502.698262 27.022894 BFGS: 297 16:56:54 -503.800454 26.685483 BFGS: 298 16:56:54 -504.896776 26.341112 BFGS: 299 16:56:55 -505.986592 25.993721 BFGS: 300 16:56:55 -507.069914 25.639747 BFGS: 301 16:56:56 -508.146679 25.277726 BFGS: 302 16:56:56 -509.213711 24.912474 BFGS: 303 16:56:56 -510.271331 24.532227 BFGS: 304 16:56:58 -511.317648 24.418050 BFGS: 305 16:56:58 -512.350395 24.612399 BFGS: 306 16:56:59 -513.371438 24.769519 BFGS: 307 16:56:59 -514.377366 24.828013 BFGS: 308 16:57:00 -515.372956 24.865641 BFGS: 309 16:57:00 -516.352574 24.783977 BFGS: 310 16:57:01 -517.324957 24.735518 BFGS: 311 16:57:01 -518.282512 25.387678 BFGS: 312 16:57:02 -519.238194 26.446598 BFGS: 313 16:57:02 -520.182202 27.691495 BFGS: 314 16:57:03 -521.128312 28.943401 BFGS: 315 16:57:04 -522.070486 30.312161 BFGS: 316 16:57:04 -523.016219 31.688192 BFGS: 317 16:57:05 -523.964013 33.125883 BFGS: 318 16:57:06 -524.916781 34.575256 BFGS: 319 16:57:07 -525.873509 36.062210 BFGS: 320 16:57:08 -526.834030 37.559979 BFGS: 321 16:57:09 -527.798530 39.064392 BFGS: 322 16:57:10 -528.765831 40.582414 BFGS: 323 16:57:11 -529.736551 42.103604 BFGS: 324 16:57:11 -530.709791 43.634941 BFGS: 325 16:57:12 -531.684782 45.166173 BFGS: 326 16:57:13 -532.661625 46.695580 BFGS: 327 16:57:13 -533.637869 48.221704 BFGS: 328 16:57:14 -534.614950 49.745543 BFGS: 329 16:57:14 -535.592286 51.260681 BFGS: 330 16:57:15 -536.569144 52.767152 BFGS: 331 16:57:15 -537.545250 54.262524 BFGS: 332 16:57:16 -538.520512 55.740369 BFGS: 333 16:57:16 -539.494151 57.201569 BFGS: 334 16:57:17 -540.467429 58.639954 BFGS: 335 16:57:18 -541.438464 60.069840 BFGS: 336 16:57:18 -542.407777 61.462502 BFGS: 337 16:57:19 -543.375079 62.843948 BFGS: 338 16:57:19 -544.341054 64.195075 BFGS: 339 16:57:19 -545.304606 65.521795 BFGS: 340 16:57:20 -546.266739 66.814897 BFGS: 341 16:57:20 -547.225985 68.091966 BFGS: 342 16:57:21 -548.182860 69.333662 BFGS: 343 16:57:21 -549.137181 70.551139 BFGS: 344 16:57:22 -550.090254 71.727106 BFGS: 345 16:57:22 -551.041243 72.894368 BFGS: 346 16:57:23 -551.991786 74.019146 BFGS: 347 16:57:23 -552.940295 75.136114 BFGS: 348 16:57:24 -553.888864 76.206769 BFGS: 349 16:57:24 -554.835897 77.279207 BFGS: 350 16:57:24 -555.783140 78.292009 BFGS: 351 16:57:24 -556.729021 79.309852 BFGS: 352 16:57:25 -557.675302 80.284458 BFGS: 353 16:57:26 -558.622292 81.248140 BFGS: 354 16:57:27 -559.569685 82.178399 BFGS: 355 16:57:27 -560.518506 83.086858 BFGS: 356 16:57:28 -561.468365 83.973816 BFGS: 357 16:57:28 -562.421247 84.837165 BFGS: 358 16:57:29 -563.377996 85.684761 BFGS: 359 16:57:29 -564.338806 86.500866 BFGS: 360 16:57:30 -565.302728 87.301351 BFGS: 361 16:57:30 -566.268968 88.080588 BFGS: 362 16:57:31 -567.237678 88.840133 BFGS: 363 16:57:32 -568.209207 89.574693 BFGS: 364 16:57:32 -569.213445 90.349841 BFGS: 365 16:57:33 -570.301619 91.070996 BFGS: 366 16:57:33 -571.529592 92.240412 BFGS: 367 16:57:34 -572.760792 93.512866 BFGS: 368 16:57:34 -574.039473 94.542575 BFGS: 369 16:57:35 -575.486722 95.459287 BFGS: 370 16:57:35 -577.033137 96.166700 BFGS: 371 16:57:36 -578.641136 96.681618 BFGS: 372 16:57:37 -580.295441 97.029407 BFGS: 373 16:57:37 -581.962909 97.286931 BFGS: 374 16:57:37 -583.615958 97.463687 BFGS: 375 16:57:37 -585.231031 97.603611 BFGS: 376 16:57:38 -586.807845 97.681203 BFGS: 377 16:57:38 -588.367954 97.673079 BFGS: 378 16:57:39 -589.868388 97.705992 BFGS: 379 16:57:40 -591.296025 97.712816 BFGS: 380 16:57:40 -592.651556 97.768524 BFGS: 381 16:57:40 -593.937142 97.785369 BFGS: 382 16:57:41 -595.160230 97.847975 BFGS: 383 16:57:41 -596.336842 97.815422 BFGS: 384 16:57:42 -597.470996 97.855724 BFGS: 385 16:57:43 -598.586179 97.750514 BFGS: 386 16:57:43 -599.681833 97.725700 BFGS: 387 16:57:44 -600.768532 97.549283 BFGS: 388 16:57:44 -601.848228 97.438019 BFGS: 389 16:57:44 -602.929845 97.205342 BFGS: 390 16:57:45 -604.004734 97.007496 BFGS: 391 16:57:45 -605.081044 96.728454 BFGS: 392 16:57:46 -606.155576 96.440669 BFGS: 393 16:57:47 -607.229201 96.111986 BFGS: 394 16:57:47 -608.305293 95.743235 BFGS: 395 16:57:48 -609.383173 95.331068 BFGS: 396 16:57:49 -610.460133 94.910394 BFGS: 397 16:57:49 -611.541377 94.443716 BFGS: 398 16:57:50 -612.624743 93.961388 BFGS: 399 16:57:51 -613.711253 93.447048 BFGS: 400 16:57:51 -614.799917 92.920642 BFGS: 401 16:57:52 -615.894185 92.345653 BFGS: 402 16:57:52 -616.984801 91.769312 BFGS: 403 16:57:53 -618.083923 91.152974 BFGS: 404 16:57:53 -619.182149 90.527004 BFGS: 405 16:57:54 -620.285431 89.880137 BFGS: 406 16:57:54 -621.390638 89.214479 BFGS: 407 16:57:54 -622.500195 88.527508 BFGS: 408 16:57:54 -623.603821 87.856600 BFGS: 409 16:57:55 -624.714660 87.128540 BFGS: 410 16:57:55 -625.818517 86.435869 BFGS: 411 16:57:56 -626.928162 85.685217 BFGS: 412 16:57:56 -628.035282 84.936268 BFGS: 413 16:57:56 -629.151785 84.142650 BFGS: 414 16:57:57 -630.242145 83.569151 BFGS: 415 16:57:58 -631.309222 83.138232 BFGS: 416 16:57:58 -632.571076 81.774736 BFGS: 417 16:57:59 -633.778140 81.389552 BFGS: 418 16:57:59 -635.116175 80.005665 BFGS: 419 16:57:59 -636.386403 80.106813 BFGS: 420 16:58:00 -637.636573 80.765739 BFGS: 421 16:58:00 -639.131351 80.160316 BFGS: 422 16:58:01 -640.870587 79.731446 BFGS: 423 16:58:01 -642.498550 79.649578 BFGS: 424 16:58:02 -644.665657 78.637158 BFGS: 425 16:58:03 -647.249486 78.711559 BFGS: 426 16:58:04 -650.315228 78.506119 BFGS: 427 16:58:05 -653.956022 77.599186 BFGS: 428 16:58:06 -658.266164 76.089362 BFGS: 429 16:58:06 -663.327390 73.765966 BFGS: 430 16:58:07 -669.374793 70.459036 BFGS: 431 16:58:07 -676.617720 66.070167 BFGS: 432 16:58:07 -683.382513 61.354630 BFGS: 433 16:58:08 -689.726720 56.943308 BFGS: 434 16:58:09 -695.769043 52.569756 BFGS: 435 16:58:10 -701.538581 48.806364 BFGS: 436 16:58:11 -707.391390 45.675237 BFGS: 437 16:58:12 -712.786022 43.124957 BFGS: 438 16:58:13 -718.894929 42.889495 BFGS: 439 16:58:14 -724.522844 42.255227 BFGS: 440 16:58:14 -730.077603 44.166305 BFGS: 441 16:58:15 -735.360335 45.438757 BFGS: 442 16:58:16 -740.621993 48.018228 BFGS: 443 16:58:16 -745.230146 49.651035 BFGS: 444 16:58:17 -750.088395 51.697830 BFGS: 445 16:58:17 -754.214333 53.075063 BFGS: 446 16:58:18 -758.539401 54.293695 BFGS: 447 16:58:19 -762.445501 55.123590 BFGS: 448 16:58:19 -766.513900 55.577980 BFGS: 449 16:58:20 -770.319132 55.707667 BFGS: 450 16:58:20 -774.158563 55.363939 BFGS: 451 16:58:20 -777.788362 54.739645 BFGS: 452 16:58:21 -781.322771 53.819407 BFGS: 453 16:58:21 -784.678724 52.841918 BFGS: 454 16:58:21 -787.881605 51.870921 BFGS: 455 16:58:22 -790.950931 50.972082 BFGS: 456 16:58:22 -793.873970 50.197177 BFGS: 457 16:58:23 -796.693055 49.516876 BFGS: 458 16:58:24 -799.378305 48.968070 BFGS: 459 16:58:25 -801.975761 48.491132 BFGS: 460 16:58:26 -804.457133 48.139243 BFGS: 461 16:58:26 -806.861854 47.838883 BFGS: 462 16:58:27 -809.163419 47.635296 BFGS: 463 16:58:27 -811.403602 47.461582 BFGS: 464 16:58:28 -813.564986 47.366780 BFGS: 465 16:58:28 -815.682590 47.276650 BFGS: 466 16:58:29 -817.743678 48.123991 BFGS: 467 16:58:29 -819.786688 48.679095 BFGS: 468 16:58:29 -821.777155 49.483386 BFGS: 469 16:58:30 -823.772504 49.916753 BFGS: 470 16:58:30 -825.732649 50.623878 BFGS: 471 16:58:31 -827.708517 50.954141 BFGS: 472 16:58:31 -829.659499 51.534544 BFGS: 473 16:58:32 -831.635039 51.759744 BFGS: 474 16:58:32 -833.606307 52.184138 BFGS: 475 16:58:33 -835.601694 52.309671 BFGS: 476 16:58:33 -837.606995 52.574823 BFGS: 477 16:58:34 -839.638178 52.611583 BFGS: 478 16:58:35 -841.689881 52.740597 BFGS: 479 16:58:36 -843.778243 52.686838 BFGS: 480 16:58:36 -845.898966 52.671519 BFGS: 481 16:58:37 -848.067599 52.519804 BFGS: 482 16:58:37 -850.284701 52.382017 BFGS: 483 16:58:37 -852.562495 52.126878 BFGS: 484 16:58:38 -854.902662 51.878442 BFGS: 485 16:58:38 -857.323422 51.519171 BFGS: 486 16:58:39 -859.823190 51.153972 BFGS: 487 16:58:40 -862.424692 50.691691 BFGS: 488 16:58:40 -865.129433 50.222080 BFGS: 489 16:58:40 -867.955970 49.654790 BFGS: 490 16:58:41 -870.892098 49.122194 BFGS: 491 16:58:41 -873.950497 48.467934 BFGS: 492 16:58:42 -876.890856 47.947549 BFGS: 493 16:58:42 -879.707478 47.390128 BFGS: 494 16:58:43 -882.410027 46.987328 BFGS: 495 16:58:44 -885.001813 46.551662 BFGS: 496 16:58:45 -887.495737 46.301767 BFGS: 497 16:58:45 -889.892160 45.992910 BFGS: 498 16:58:46 -892.211026 45.911731 BFGS: 499 16:58:46 -894.447159 45.693394 BFGS: 500 16:58:47 -896.621898 45.754664 BFGS: 501 16:58:47 -898.728165 45.576921 BFGS: 502 16:58:48 -900.790390 45.751547 BFGS: 503 16:58:48 -902.797100 45.579787 BFGS: 504 16:58:49 -904.769996 45.805724 BFGS: 505 16:58:49 -906.699267 45.665650 BFGS: 506 16:58:49 -908.601665 45.853282 BFGS: 507 16:58:49 -910.470998 45.771548 BFGS: 508 16:58:50 -912.317935 45.884486 BFGS: 509 16:58:50 -914.141474 45.837135 BFGS: 510 16:58:51 -915.946771 45.884017 BFGS: 511 16:58:53 -917.733828 45.838515 BFGS: 512 16:58:53 -919.506404 45.831752 BFGS: 513 16:58:54 -921.266076 45.776399 BFGS: 514 16:58:55 -923.012336 45.720927 BFGS: 515 16:58:56 -924.748992 45.644159 BFGS: 516 16:58:56 -926.476823 45.558657 BFGS: 517 16:58:56 -928.196530 45.455693 BFGS: 518 16:58:58 -929.909778 45.342464 BFGS: 519 16:58:59 -931.616741 45.205052 BFGS: 520 16:58:59 -933.319585 45.060192 BFGS: 521 16:59:00 -935.018977 44.899461 BFGS: 522 16:59:00 -936.716353 44.727402 BFGS: 523 16:59:01 -938.412485 44.539980 BFGS: 524 16:59:01 -940.108959 44.343775 BFGS: 525 16:59:02 -941.804881 44.130894 BFGS: 526 16:59:03 -943.501726 43.904575 BFGS: 527 16:59:03 -945.200959 43.665932 BFGS: 528 16:59:04 -946.902541 43.421164 BFGS: 529 16:59:04 -948.607993 43.159092 BFGS: 530 16:59:05 -950.317009 42.870327 BFGS: 531 16:59:06 -952.029686 42.577475 BFGS: 532 16:59:06 -953.747563 42.255793 BFGS: 533 16:59:07 -955.468516 41.930200 BFGS: 534 16:59:07 -957.195682 41.557799 BFGS: 535 16:59:08 -958.926351 41.186752 BFGS: 536 16:59:09 -960.663865 40.768644 BFGS: 537 16:59:10 -962.404994 40.346035 BFGS: 538 16:59:10 -964.153167 39.863073 BFGS: 539 16:59:11 -965.902786 39.389833 BFGS: 540 16:59:12 -967.661559 38.828124 BFGS: 541 16:59:13 -969.415254 38.292611 BFGS: 542 16:59:13 -971.182714 37.643207 BFGS: 543 16:59:14 -972.937799 37.037009 BFGS: 544 16:59:14 -974.709420 36.298299 BFGS: 545 16:59:15 -976.461059 35.605754 BFGS: 546 16:59:16 -978.230782 34.783657 BFGS: 547 16:59:17 -979.978227 33.977686 BFGS: 548 16:59:17 -981.738567 33.080549 BFGS: 549 16:59:18 -983.475862 32.241682 BFGS: 550 16:59:18 -985.217772 31.926156 BFGS: 551 16:59:19 -986.937209 31.710139 BFGS: 552 16:59:20 -988.653842 31.342359 BFGS: 553 16:59:20 -990.342905 31.083955 BFGS: 554 16:59:21 -992.019578 30.659954 BFGS: 555 16:59:21 -993.662388 30.363310 BFGS: 556 16:59:21 -995.285004 29.883543 BFGS: 557 16:59:22 -996.866696 29.541346 BFGS: 558 16:59:22 -998.419605 29.015954 BFGS: 559 16:59:23 -999.923438 28.641841 BFGS: 560 16:59:23 -1001.388689 28.074468 BFGS: 561 16:59:24 -1002.800712 27.656516 BFGS: 562 16:59:24 -1004.166732 27.050341 BFGS: 563 16:59:25 -1005.472663 26.598658 BFGS: 564 16:59:25 -1006.725995 25.970083 BFGS: 565 16:59:26 -1007.915280 25.490282 BFGS: 566 16:59:27 -1009.047547 24.844173 BFGS: 567 16:59:27 -1010.051480 24.396110 BFGS: 568 16:59:28 -1010.926339 23.868466 BFGS: 569 16:59:29 -1011.686583 23.561143 BFGS: 570 16:59:30 -1012.377445 23.227120 BFGS: 571 16:59:30 -1013.019201 23.110487 BFGS: 572 16:59:30 -1013.646564 23.035698 BFGS: 573 16:59:30 -1014.281733 23.188377 BFGS: 574 16:59:31 -1014.954751 23.448536 BFGS: 575 16:59:32 -1015.648871 23.933980 BFGS: 576 16:59:32 -1016.331786 24.490903 BFGS: 577 16:59:32 -1017.042990 25.200018 BFGS: 578 16:59:33 -1017.766410 25.960662 BFGS: 579 16:59:33 -1018.520114 26.822025 BFGS: 580 16:59:34 -1019.290736 27.715284 BFGS: 581 16:59:34 -1020.087919 28.679011 BFGS: 582 16:59:35 -1020.902227 29.664272 BFGS: 583 16:59:36 -1021.736234 30.694754 BFGS: 584 16:59:36 -1022.587449 31.741078 BFGS: 585 16:59:37 -1023.455683 32.821224 BFGS: 586 16:59:38 -1024.336965 33.909343 BFGS: 587 16:59:39 -1025.235716 35.020150 BFGS: 588 16:59:39 -1026.148972 36.125851 BFGS: 589 16:59:40 -1027.076189 37.237975 BFGS: 590 16:59:40 -1028.018935 38.338241 BFGS: 591 16:59:41 -1028.980529 39.430705 BFGS: 592 16:59:41 -1029.968391 40.489600 BFGS: 593 16:59:41 -1030.985165 41.518140 BFGS: 594 16:59:42 -1032.005559 42.439932 BFGS: 595 16:59:42 -1033.031221 43.246881 BFGS: 596 16:59:43 -1034.089554 43.922529 BFGS: 597 16:59:43 -1035.207410 44.478149 BFGS: 598 16:59:44 -1036.411656 44.899102 BFGS: 599 16:59:44 -1037.719189 45.201891 BFGS: 600 16:59:45 -1039.150762 45.369070 BFGS: 601 16:59:45 -1040.716901 45.413895 BFGS: 602 16:59:46 -1042.427542 45.332125 BFGS: 603 16:59:46 -1044.284663 45.134017 BFGS: 604 16:59:46 -1046.289168 44.823271 BFGS: 605 16:59:46 -1048.442035 44.404340 BFGS: 606 16:59:47 -1050.737680 43.877158 BFGS: 607 16:59:47 -1053.172598 43.250530 BFGS: 608 16:59:48 -1055.735187 42.527693 BFGS: 609 16:59:49 -1058.428996 41.700788 BFGS: 610 16:59:49 -1061.244269 40.776161 BFGS: 611 16:59:50 -1064.097928 39.772099 BFGS: 612 16:59:50 -1066.863995 38.742078 BFGS: 613 16:59:51 -1069.531490 37.695002 BFGS: 614 16:59:52 -1072.094623 36.644338 BFGS: 615 16:59:52 -1074.527420 35.606955 BFGS: 616 16:59:52 -1076.876594 34.560030 BFGS: 617 16:59:53 -1079.140391 33.497755 BFGS: 618 16:59:54 -1081.306541 32.434594 BFGS: 619 16:59:54 -1083.385552 31.375515 BFGS: 620 16:59:55 -1085.379026 30.303223 BFGS: 621 16:59:56 -1087.299300 29.216539 BFGS: 622 16:59:57 -1089.148175 28.116121 BFGS: 623 16:59:58 -1090.925347 27.000550 BFGS: 624 16:59:58 -1092.635306 25.878752 BFGS: 625 16:59:59 -1094.300895 24.731451 BFGS: 626 17:00:00 -1095.916693 23.581709 BFGS: 627 17:00:01 -1097.489807 22.464729 BFGS: 628 17:00:01 -1099.029140 23.535138 BFGS: 629 17:00:02 -1100.541904 25.093575 BFGS: 630 17:00:02 -1102.026221 26.500273 BFGS: 631 17:00:03 -1103.505297 27.736518 BFGS: 632 17:00:04 -1104.956780 28.723190 BFGS: 633 17:00:04 -1106.262639 29.351167 BFGS: 634 17:00:05 -1107.450791 29.619939 BFGS: 635 17:00:05 -1108.543854 29.572434 BFGS: 636 17:00:06 -1109.561148 29.214241 BFGS: 637 17:00:07 -1110.523013 29.158055 BFGS: 638 17:00:07 -1111.448544 29.574502 BFGS: 639 17:00:08 -1112.360281 29.912676 BFGS: 640 17:00:08 -1113.281249 30.163742 BFGS: 641 17:00:09 -1114.239168 30.334422 BFGS: 642 17:00:10 -1115.267764 30.420131 BFGS: 643 17:00:10 -1116.401860 30.441676 BFGS: 644 17:00:11 -1117.674991 30.385488 BFGS: 645 17:00:12 -1119.094023 30.312177 BFGS: 646 17:00:12 -1120.620522 30.214495 BFGS: 647 17:00:13 -1122.187945 30.183567 BFGS: 648 17:00:14 -1123.759542 30.154580 BFGS: 649 17:00:14 -1125.336010 30.178452 BFGS: 650 17:00:15 -1126.947854 30.620660 BFGS: 651 17:00:15 -1128.606530 31.067491 BFGS: 652 17:00:16 -1130.330386 31.468268 BFGS: 653 17:00:17 -1132.120155 32.197414 BFGS: 654 17:00:18 -1133.972620 32.942622 BFGS: 655 17:00:19 -1135.886341 33.688058 BFGS: 656 17:00:19 -1137.860790 34.450818 BFGS: 657 17:00:20 -1139.887411 35.248138 BFGS: 658 17:00:21 -1141.964409 36.086001 BFGS: 659 17:00:22 -1144.102311 36.975545 BFGS: 660 17:00:22 -1146.312318 37.897874 BFGS: 661 17:00:23 -1148.588310 38.798534 BFGS: 662 17:00:24 -1150.986344 39.625435 BFGS: 663 17:00:25 -1153.501476 40.217774 BFGS: 664 17:00:25 -1156.254491 40.469868 BFGS: 665 17:00:26 -1159.066011 40.181859 BFGS: 666 17:00:27 -1161.818384 39.357709 BFGS: 667 17:00:27 -1164.593386 38.000654 BFGS: 668 17:00:28 -1167.140334 36.353614 BFGS: 669 17:00:29 -1169.570295 34.243624 BFGS: 670 17:00:29 -1171.452281 33.360821 BFGS: 671 17:00:30 -1173.220375 32.833188 BFGS: 672 17:00:30 -1174.283312 34.788859 BFGS: 673 17:00:31 -1175.814012 30.353955 BFGS: 674 17:00:32 -1177.077376 30.030996 BFGS: 675 17:00:33 -1179.214094 28.682530 BFGS: 676 17:00:34 -1181.720489 29.372260 BFGS: 677 17:00:35 -1183.404037 29.530777 BFGS: 678 17:00:35 -1184.535681 28.811030 BFGS: 679 17:00:35 -1185.474221 28.662606 BFGS: 680 17:00:36 -1186.407141 28.210419 BFGS: 681 17:00:37 -1187.322205 27.578058 BFGS: 682 17:00:38 -1188.233767 26.565705 BFGS: 683 17:00:39 -1189.137215 25.286963 BFGS: 684 17:00:39 -1190.038555 23.727765 BFGS: 685 17:00:40 -1190.965700 21.985584 BFGS: 686 17:00:40 -1191.966703 20.416724 BFGS: 687 17:00:41 -1193.166316 20.576506 BFGS: 688 17:00:42 -1194.165343 20.188592 BFGS: 689 17:00:42 -1195.099488 19.402756 BFGS: 690 17:00:43 -1196.009527 18.217004 BFGS: 691 17:00:44 -1196.896886 16.739080 BFGS: 692 17:00:44 -1197.724101 16.970639 BFGS: 693 17:00:45 -1198.456438 17.204920 BFGS: 694 17:00:46 -1198.972340 17.336339 BFGS: 695 17:00:46 -1199.309316 17.223380 BFGS: 696 17:00:47 -1199.777326 16.627869 BFGS: 697 17:00:48 -1200.165372 15.318915 BFGS: 698 17:00:48 -1200.394120 13.876815 BFGS: 699 17:00:49 -1200.655595 11.736948 BFGS: 700 17:00:49 -1200.830163 11.839975 BFGS: 701 17:00:49 -1200.964168 11.354774 BFGS: 702 17:00:50 -1201.066434 10.858540 BFGS: 703 17:00:50 -1201.174628 10.098770 BFGS: 704 17:00:50 -1201.314202 10.576784 BFGS: 705 17:00:51 -1201.529366 11.168245 BFGS: 706 17:00:51 -1201.788500 11.384260 BFGS: 707 17:00:52 -1202.050064 11.037169 BFGS: 708 17:00:53 -1202.278264 10.517335 BFGS: 709 17:00:54 -1202.492308 10.004300 BFGS: 710 17:00:54 -1202.687930 9.704006 BFGS: 711 17:00:55 -1202.850123 10.102253 BFGS: 712 17:00:55 -1202.969622 10.613425 BFGS: 713 17:00:56 -1203.064284 10.789514 BFGS: 714 17:00:57 -1203.170275 10.452954 BFGS: 715 17:00:58 -1203.291517 9.475567 BFGS: 716 17:00:58 -1203.421116 7.965059 BFGS: 717 17:00:59 -1203.535992 8.390555 BFGS: 718 17:00:59 -1203.648441 9.311113 BFGS: 719 17:01:00 -1203.775460 9.708586 BFGS: 720 17:01:00 -1203.936825 9.584479 BFGS: 721 17:01:01 -1204.129087 8.969410 BFGS: 722 17:01:01 -1204.382776 8.055011 BFGS: 723 17:01:02 -1204.707542 6.992618 BFGS: 724 17:01:03 -1205.120511 7.219653 BFGS: 725 17:01:04 -1205.468715 7.234554 BFGS: 726 17:01:05 -1205.691336 7.105122 BFGS: 727 17:01:06 -1205.775946 6.752373 BFGS: 728 17:01:07 -1205.798703 6.445873 BFGS: 729 17:01:07 -1205.814226 6.213737 BFGS: 730 17:01:08 -1205.846303 5.777375 BFGS: 731 17:01:09 -1205.903533 5.156744 BFGS: 732 17:01:10 -1206.005165 4.210029 BFGS: 733 17:01:10 -1206.129197 3.390598 BFGS: 734 17:01:11 -1206.218945 3.462594 BFGS: 735 17:01:12 -1206.255068 3.390133 BFGS: 736 17:01:12 -1206.273510 3.326493 BFGS: 737 17:01:12 -1206.296036 3.280493 BFGS: 738 17:01:13 -1206.337608 3.235731 BFGS: 739 17:01:13 -1206.414435 3.117187 BFGS: 740 17:01:14 -1206.523166 2.780487 BFGS: 741 17:01:15 -1206.611885 2.411488 BFGS: 742 17:01:15 -1206.645276 2.175408 BFGS: 743 17:01:16 -1206.650718 2.140178 BFGS: 744 17:01:16 -1206.651909 2.160454 BFGS: 745 17:01:17 -1206.653528 2.192507 BFGS: 746 17:01:17 -1206.656566 2.238609 BFGS: 747 17:01:18 -1206.663494 2.280385 BFGS: 748 17:01:18 -1206.678825 2.257009 BFGS: 749 17:01:18 -1206.709674 2.030707 BFGS: 750 17:01:18 -1206.755717 1.525698 BFGS: 751 17:01:19 -1206.793937 1.183700 BFGS: 752 17:01:19 -1206.807016 1.275753 BFGS: 753 17:01:20 -1206.809016 1.250010 BFGS: 754 17:01:21 -1206.809569 1.230217 BFGS: 755 17:01:21 -1206.810268 1.213396 BFGS: 756 17:01:21 -1206.810875 1.217891 BFGS: 757 17:01:21 -1206.814308 1.230731 BFGS: 758 17:01:22 -1206.819122 1.218046 BFGS: 759 17:01:22 -1206.831802 1.079293 BFGS: 760 17:01:23 -1206.842188 0.852161 BFGS: 761 17:01:25 -1206.846464 0.659095 BFGS: 762 17:01:26 -1206.846990 0.601113 BFGS: 763 17:01:27 -1206.847151 0.575214 BFGS: 764 17:01:28 -1206.847230 0.584647 BFGS: 765 17:01:28 -1206.847260 0.591401 BFGS: 766 17:01:30 -1206.847382 0.607251 BFGS: 767 17:01:30 -1206.847566 0.618864 BFGS: 768 17:01:32 -1206.848103 0.630365 BFGS: 769 17:01:32 -1206.849289 0.624857 BFGS: 770 17:01:33 -1206.851889 0.567010 BFGS: 771 17:01:33 -1206.856133 0.541854 BFGS: 772 17:01:34 -1206.860362 0.353363 BFGS: 773 17:01:35 -1206.862203 0.106563 BFGS: 774 17:01:36 -1206.862477 0.019425 BFGS: 775 17:01:37 -1206.862490 0.004569 BFGS: 776 17:01:38 -1206.862490 0.001802 BFGS: 777 17:01:38 -1206.862491 0.000494 BFGS: 778 17:01:39 -1206.862491 0.000074 BFGS: 779 17:01:39 -1206.862491 0.000015 BFGS: 780 17:01:40 -1206.862491 0.000007 BFGS: 781 17:01:40 -1206.862491 0.000002 BFGS: 782 17:01:41 -1206.862491 0.000000 BFGS: 783 17:01:42 -1206.862491 0.000000 BFGS: 784 17:01:43 -1206.862491 0.000000 BFGS: 785 17:01:43 -1206.862491 0.000000 Minimization converged after 785 steps. Maximum force component: 1.1327076149080092e-08 eV/Angstrom Maximum stress component: 1.215421540084082e-09 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cl', 'Cl', 'Cl', 'Cl', 'Cl', 'Cl', 'Cl', 'Cl', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.49191274 0.85661067 0.21820871] [0.49191274 0.14338933 0.71820871] [0.99191274 0.35661067 0.21820871] [0.99191274 0.64338933 0.71820871] [0.49191274 0.14338933 0.29639118] [0.49191274 0.85661067 0.79639118] [0.99191274 0.64338933 0.29639118] [0.99191274 0.35661067 0.79639118] [0.49191274 0.02792815 0.00729994] [0.49191274 0.97207185 0.50729994] [0.99191274 0.52792815 0.00729994] [0.99191274 0.47207185 0.50729994] [0.74402469 0.19401775 0.00729994] [0.74402469 0.80598225 0.50729994] [0.24402469 0.69401775 0.00729994] [0.24402469 0.30598225 0.50729994] [0.73980078 0.30598225 0.50729994] [0.73980078 0.69401775 0.00729994] [0.23980078 0.80598225 0.50729994] [0.23980078 0.19401775 0.00729994] [0.99191274 0.96161521 0.38088138] [0.99191274 0.03838479 0.88088138] [0.49191274 0.46161521 0.38088138] [0.49191274 0.53838479 0.88088138] [0.49191274 0.53838479 0.1337185 ] [0.49191274 0.46161521 0.6337185 ] [0.99191274 0.03838479 0.1337185 ] [0.99191274 0.96161521 0.6337185 ] [0.49191274 0.63131348 0.50729994] [0.49191274 0.36868652 0.00729994] [0.99191274 0.13131348 0.50729994] [0.99191274 0.86868652 0.00729994]] cellpar = Cell([[2.3937882746506136, 1.5775187476594757e-18, -0.4605114467193055], [-2.294968767250141e-17, 6.603427580604481, -8.041595151564739e-18], [0.9565470908047256, -6.006131490746056e-18, 4.972235166766897]]) forces = [[ 7.07267627e-10 6.41886220e-09 1.48937577e-09] [ 7.07267627e-10 -6.41886220e-09 1.48937577e-09] [ 7.07267627e-10 6.41886220e-09 1.48937577e-09] [ 7.07267627e-10 -6.41886220e-09 1.48937577e-09] [ 4.13576663e-09 -1.13270761e-08 5.42123210e-09] [ 4.13576663e-09 1.13270761e-08 5.42123210e-09] [ 4.13576663e-09 -1.13270761e-08 5.42123210e-09] [ 4.13576663e-09 1.13270761e-08 5.42123210e-09] [-4.37866880e-10 -9.07727186e-09 -4.56945493e-09] [-4.37866880e-10 9.07727186e-09 -4.56945493e-09] [-4.37866880e-10 -9.07727186e-09 -4.56945493e-09] [-4.37866880e-10 9.07727186e-09 -4.56945493e-09] [ 5.68174149e-09 -6.94693640e-10 -2.55093185e-09] [ 5.68174149e-09 6.94693640e-10 -2.55093185e-09] [ 5.68174149e-09 -6.94693640e-10 -2.55093185e-09] [ 5.68174149e-09 6.94693640e-10 -2.55093185e-09] [-9.63968849e-09 -3.39201354e-09 -1.22680866e-09] [-9.63968849e-09 3.39201354e-09 -1.22680866e-09] [-9.63968849e-09 -3.39201354e-09 -1.22680866e-09] [-9.63968849e-09 3.39201354e-09 -1.22680866e-09] [ 7.60361426e-10 -5.98796217e-09 2.13874752e-09] [ 7.60361426e-10 5.98796217e-09 2.13874752e-09] [ 7.60361426e-10 -5.98796217e-09 2.13874752e-09] [ 7.60361426e-10 5.98796217e-09 2.13874752e-09] [ 5.46665387e-10 -8.75820024e-10 2.43260001e-09] [ 5.46665387e-10 8.75820024e-10 2.43260001e-09] [ 5.46665387e-10 -8.75820024e-10 2.43260001e-09] [ 5.46665387e-10 8.75820024e-10 2.43260001e-09] [-1.75425153e-09 3.62147980e-09 -3.13476369e-09] [-1.75425153e-09 -3.62147980e-09 -3.13476369e-09] [-1.75425153e-09 3.62147980e-09 -3.13476369e-09] [-1.75425153e-09 -3.62147980e-09 -3.13476369e-09]] stress = [-7.48390667e-10 -3.65671627e-10 -1.21542154e-09 -1.26878523e-27 1.17410970e-10 6.29182335e-27] energy per atom = -37.714452829237324 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is AB3_mC32_9_2a_6a, while relaxed is AB3_oC32_63_f_2cfg. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.