element(s): ['H', 'W'] AFLOW prototype label: A6B_mC28_12_6i_i Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'z7'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.4724', '0.28922692', '0.86984836', '142.8735', '0.51808071', '0.057376229', '0.87180073', '0.44103312', '0.47705716', '0.67103838', '0.2923442', '0.27226491', '0.90858876', '0.66684493', '0.83920808', '0.0020280618', '0.86521011', '0.22472465'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['H', 'H', 'H', 'H', 'H', 'H', 'W'] representative atom coordinates = [[0.51808071 0. 0.05737623] [0.87180073 0. 0.44103312] [0.47705716 0. 0.67103838] [0.2923442 0. 0.27226491] [0.90858876 0. 0.66684493] [0.83920808 0. 0.00202806] [0.86521011 0. 0.22472465]] spacegroup = 12 cell = [[10.4724, 0, 0], [0, 3.0289, 0], [-7.2629688228339, 0, 5.4982226435952]] ========================================= Step Time Energy fmax BFGS: 0 16:53:46 -329.041245 146.784266 BFGS: 1 16:53:46 -360.222624 59.931146 BFGS: 2 16:53:46 -371.132407 51.805248 BFGS: 3 16:53:47 -372.893912 103.727801 BFGS: 4 16:53:47 -379.059778 55.356687 BFGS: 5 16:53:48 -386.295256 37.426704 BFGS: 6 16:53:48 -390.464488 31.765304 BFGS: 7 16:53:49 -393.975489 27.452352 BFGS: 8 16:53:49 -397.293415 24.357421 BFGS: 9 16:53:49 -400.471124 21.375489 BFGS: 10 16:53:50 -403.585556 18.817692 BFGS: 11 16:53:50 -406.606254 16.321482 BFGS: 12 16:53:51 -409.531236 14.082396 BFGS: 13 16:53:51 -412.333585 11.904394 BFGS: 14 16:53:51 -415.006189 10.216627 BFGS: 15 16:53:52 -417.537679 10.536912 BFGS: 16 16:53:52 -419.921173 10.794563 BFGS: 17 16:53:53 -422.144573 10.986543 BFGS: 18 16:53:53 -424.198078 11.108435 BFGS: 19 16:53:54 -426.065113 11.144414 BFGS: 20 16:53:54 -427.744358 11.114153 BFGS: 21 16:53:55 -429.240262 11.015497 BFGS: 22 16:53:55 -430.577085 10.879938 BFGS: 23 16:53:56 -431.782295 10.715041 BFGS: 24 16:53:56 -432.884983 10.542532 BFGS: 25 16:53:57 -433.905160 10.372649 BFGS: 26 16:53:57 -434.863908 10.212420 BFGS: 27 16:53:58 -435.776581 10.112645 BFGS: 28 16:53:58 -436.657653 10.106656 BFGS: 29 16:53:59 -437.517726 10.089486 BFGS: 30 16:53:59 -438.365879 10.080027 BFGS: 31 16:53:59 -439.208360 10.063136 BFGS: 32 16:54:00 -440.051190 10.473978 BFGS: 33 16:54:00 -440.898475 11.071809 BFGS: 34 16:54:01 -441.752303 11.659303 BFGS: 35 16:54:02 -442.610530 12.273192 BFGS: 36 16:54:03 -443.466340 12.937636 BFGS: 37 16:54:03 -444.320402 13.589370 BFGS: 38 16:54:03 -445.185984 14.276062 BFGS: 39 16:54:04 -446.050938 14.993935 BFGS: 40 16:54:04 -446.910900 15.698412 BFGS: 41 16:54:05 -447.763815 16.452510 BFGS: 42 16:54:05 -448.609205 17.150969 BFGS: 43 16:54:06 -449.446126 17.942034 BFGS: 44 16:54:07 -450.271928 18.611866 BFGS: 45 16:54:08 -451.084992 19.428320 BFGS: 46 16:54:08 -451.885075 20.070747 BFGS: 47 16:54:09 -452.667818 20.846887 BFGS: 48 16:54:10 -453.433359 21.486854 BFGS: 49 16:54:10 -454.179573 22.206470 BFGS: 50 16:54:11 -454.905202 22.806094 BFGS: 51 16:54:12 -455.608317 23.439469 BFGS: 52 16:54:13 -456.287928 23.996001 BFGS: 53 16:54:14 -456.944660 24.531466 BFGS: 54 16:54:14 -457.573492 24.997725 BFGS: 55 16:54:15 -458.182652 25.461076 BFGS: 56 16:54:15 -458.763712 25.819201 BFGS: 57 16:54:16 -459.328593 26.197511 BFGS: 58 16:54:16 -459.867319 26.489792 BFGS: 59 16:54:17 -460.391190 26.770178 BFGS: 60 16:54:17 -460.896210 27.008662 BFGS: 61 16:54:17 -461.389130 27.219529 BFGS: 62 16:54:18 -461.869869 27.412861 BFGS: 63 16:54:19 -462.342705 27.584053 BFGS: 64 16:54:19 -462.808019 27.744397 BFGS: 65 16:54:19 -463.268738 27.883881 BFGS: 66 16:54:20 -463.726231 28.015425 BFGS: 67 16:54:20 -464.181408 28.142690 BFGS: 68 16:54:21 -464.635074 28.273480 BFGS: 69 16:54:21 -465.088251 28.386116 BFGS: 70 16:54:22 -465.541276 28.508368 BFGS: 71 16:54:22 -465.994733 28.616142 BFGS: 72 16:54:23 -466.448953 28.725514 BFGS: 73 16:54:23 -466.903995 28.836170 BFGS: 74 16:54:23 -467.359771 28.956463 BFGS: 75 16:54:24 -467.815694 29.062298 BFGS: 76 16:54:24 -468.272345 29.172176 BFGS: 77 16:54:25 -468.729705 29.273868 BFGS: 78 16:54:25 -469.187683 29.379688 BFGS: 79 16:54:26 -469.646383 29.477734 BFGS: 80 16:54:26 -470.105653 29.581268 BFGS: 81 16:54:26 -470.565615 29.676278 BFGS: 82 16:54:27 -471.026071 29.778103 BFGS: 83 16:54:27 -471.487172 29.870552 BFGS: 84 16:54:28 -471.948930 29.967234 BFGS: 85 16:54:28 -472.411843 30.060277 BFGS: 86 16:54:29 -472.876203 30.150793 BFGS: 87 16:54:29 -473.342385 30.228923 BFGS: 88 16:54:30 -473.808286 30.284147 BFGS: 89 16:54:30 -474.273187 30.336482 BFGS: 90 16:54:31 -474.734809 30.374902 BFGS: 91 16:54:31 -475.190693 30.407262 BFGS: 92 16:54:31 -475.637425 30.429964 BFGS: 93 16:54:32 -476.071642 30.453155 BFGS: 94 16:54:32 -476.491852 30.471054 BFGS: 95 16:54:33 -476.896283 30.478297 BFGS: 96 16:54:33 -477.285729 30.469521 BFGS: 97 16:54:34 -477.662595 30.476888 BFGS: 98 16:54:34 -478.029301 30.478465 BFGS: 99 16:54:35 -478.388911 30.496723 BFGS: 100 16:54:35 -478.742272 30.494333 BFGS: 101 16:54:35 -479.093134 30.513749 BFGS: 102 16:54:36 -479.440617 30.523455 BFGS: 103 16:54:36 -479.786701 30.549057 BFGS: 104 16:54:37 -480.132357 30.566167 BFGS: 105 16:54:37 -480.478579 30.591737 BFGS: 106 16:54:38 -480.824128 30.620099 BFGS: 107 16:54:38 -481.171588 30.654271 BFGS: 108 16:54:39 -481.520910 30.690992 BFGS: 109 16:54:39 -481.871443 30.738157 BFGS: 110 16:54:39 -482.222365 30.779597 BFGS: 111 16:54:40 -482.574819 30.824062 BFGS: 112 16:54:40 -482.928815 30.866668 BFGS: 113 16:54:40 -483.282922 30.919318 BFGS: 114 16:54:41 -483.633974 30.957012 BFGS: 115 16:54:41 -483.985230 31.004599 BFGS: 116 16:54:42 -484.337888 31.055599 BFGS: 117 16:54:43 -484.693141 31.108435 BFGS: 118 16:54:43 -485.047081 31.164174 BFGS: 119 16:54:44 -485.401883 31.219607 BFGS: 120 16:54:44 -485.759329 31.279258 BFGS: 121 16:54:45 -486.115946 31.338570 BFGS: 122 16:54:45 -486.474669 31.397592 BFGS: 123 16:54:46 -486.832260 31.469135 BFGS: 124 16:54:46 -487.192702 31.518119 BFGS: 125 16:54:47 -487.553014 31.589351 BFGS: 126 16:54:48 -487.917683 31.673974 BFGS: 127 16:54:48 -488.286827 31.768022 BFGS: 128 16:54:49 -488.659967 31.871833 BFGS: 129 16:54:49 -489.036559 31.984555 BFGS: 130 16:54:49 -489.416109 32.108708 BFGS: 131 16:54:50 -489.798237 32.242619 BFGS: 132 16:54:51 -490.181213 32.377834 BFGS: 133 16:54:51 -490.565583 32.533375 BFGS: 134 16:54:51 -490.951217 32.704850 BFGS: 135 16:54:52 -491.337260 32.885406 BFGS: 136 16:54:52 -491.722986 33.078906 BFGS: 137 16:54:52 -492.108086 33.281783 BFGS: 138 16:54:53 -492.491980 33.505719 BFGS: 139 16:54:53 -492.874306 33.735959 BFGS: 140 16:54:53 -493.252852 33.986752 BFGS: 141 16:54:53 -493.628246 34.247920 BFGS: 142 16:54:53 -493.996406 34.524089 BFGS: 143 16:54:53 -494.360498 34.813262 BFGS: 144 16:54:53 -494.719105 35.124484 BFGS: 145 16:54:53 -495.071043 35.442677 BFGS: 146 16:54:54 -495.414195 35.788414 BFGS: 147 16:54:54 -495.751193 36.136290 BFGS: 148 16:54:55 -496.082538 36.530468 BFGS: 149 16:54:55 -496.404705 36.918754 BFGS: 150 16:54:56 -496.727608 37.373826 BFGS: 151 16:54:56 -497.057685 37.868828 BFGS: 152 16:54:57 -497.503146 38.574415 BFGS: 153 16:54:58 -498.580334 39.369128 BFGS: 154 16:54:58 -500.306635 41.710608 BFGS: 155 16:54:59 -503.716904 44.832484 BFGS: 156 16:54:59 -508.757097 49.301874 BFGS: 157 16:55:00 -509.828187 57.235459 BFGS: 158 16:55:00 -510.605849 48.046357 BFGS: 159 16:55:01 -512.050490 39.189915 BFGS: 160 16:55:01 -514.674065 40.068900 BFGS: 161 16:55:02 -517.138266 50.416546 BFGS: 162 16:55:03 -518.046090 55.964350 BFGS: 163 16:55:03 -518.444490 56.197495 BFGS: 164 16:55:04 -518.800033 56.009848 BFGS: 165 16:55:04 -519.173950 55.503100 BFGS: 166 16:55:05 -519.557493 54.982244 BFGS: 167 16:55:05 -519.948686 54.359327 BFGS: 168 16:55:05 -520.352766 53.740867 BFGS: 169 16:55:06 -520.760572 53.094178 BFGS: 170 16:55:06 -521.175123 52.485910 BFGS: 171 16:55:06 -521.595711 51.856624 BFGS: 172 16:55:07 -522.022231 51.283188 BFGS: 173 16:55:07 -522.454440 50.681539 BFGS: 174 16:55:08 -522.889073 50.162947 BFGS: 175 16:55:08 -523.329931 49.604931 BFGS: 176 16:55:09 -523.772722 49.131794 BFGS: 177 16:55:09 -524.217892 48.647535 BFGS: 178 16:55:09 -524.663071 48.256748 BFGS: 179 16:55:10 -525.115251 47.823381 BFGS: 180 16:55:10 -525.566315 47.484321 BFGS: 181 16:55:11 -526.032837 47.071432 BFGS: 182 16:55:11 -526.493096 46.766461 BFGS: 183 16:55:11 -526.966754 46.383930 BFGS: 184 16:55:12 -527.433827 46.099116 BFGS: 185 16:55:12 -527.912672 45.761392 BFGS: 186 16:55:13 -528.383984 45.521046 BFGS: 187 16:55:13 -528.871532 45.199486 BFGS: 188 16:55:13 -529.351858 44.976916 BFGS: 189 16:55:14 -529.837591 44.742703 BFGS: 190 16:55:14 -530.320160 44.543265 BFGS: 191 16:55:14 -530.817809 44.279433 BFGS: 192 16:55:15 -531.310232 44.072035 BFGS: 193 16:55:15 -531.815267 43.810602 BFGS: 194 16:55:15 -532.313644 43.610029 BFGS: 195 16:55:16 -532.822376 43.374203 BFGS: 196 16:55:16 -533.327345 43.167323 BFGS: 197 16:55:16 -533.842155 42.936327 BFGS: 198 16:55:17 -534.353682 42.729813 BFGS: 199 16:55:17 -534.871687 42.516209 BFGS: 200 16:55:17 -535.389575 42.290818 BFGS: 201 16:55:18 -535.915441 42.068214 BFGS: 202 16:55:18 -536.434794 41.884246 BFGS: 203 16:55:18 -536.969268 41.620950 BFGS: 204 16:55:19 -537.494622 41.438208 BFGS: 205 16:55:19 -538.036877 41.141872 BFGS: 206 16:55:19 -538.567467 40.970110 BFGS: 207 16:55:20 -539.117186 40.644247 BFGS: 208 16:55:20 -539.653813 40.481514 BFGS: 209 16:55:20 -540.210088 40.141094 BFGS: 210 16:55:21 -540.754125 39.968612 BFGS: 211 16:55:21 -541.317962 39.614880 BFGS: 212 16:55:22 -541.872617 39.418479 BFGS: 213 16:55:22 -542.438912 39.102069 BFGS: 214 16:55:22 -543.006299 38.854575 BFGS: 215 16:55:23 -543.584935 38.508397 BFGS: 216 16:55:23 -544.162032 38.250733 BFGS: 217 16:55:23 -544.751228 37.897241 BFGS: 218 16:55:24 -545.342746 37.618514 BFGS: 219 16:55:24 -545.948600 37.228782 BFGS: 220 16:55:24 -546.558955 36.902333 BFGS: 221 16:55:24 -547.179503 36.528753 BFGS: 222 16:55:24 -547.807630 36.204506 BFGS: 223 16:55:24 -548.453698 35.768052 BFGS: 224 16:55:25 -549.109050 35.388058 BFGS: 225 16:55:25 -549.781884 34.918207 BFGS: 226 16:55:25 -550.466757 34.498035 BFGS: 227 16:55:26 -551.169929 33.998250 BFGS: 228 16:55:26 -551.886608 33.534545 BFGS: 229 16:55:27 -552.620298 33.014751 BFGS: 230 16:55:27 -553.364546 32.553660 BFGS: 231 16:55:28 -554.117626 32.024237 BFGS: 232 16:55:28 -554.869975 31.558314 BFGS: 233 16:55:28 -555.624652 31.061647 BFGS: 234 16:55:29 -556.378654 30.633626 BFGS: 235 16:55:29 -557.134377 30.200017 BFGS: 236 16:55:29 -557.888366 29.847717 BFGS: 237 16:55:29 -558.642466 29.498803 BFGS: 238 16:55:30 -559.393011 29.243708 BFGS: 239 16:55:30 -560.141529 29.014631 BFGS: 240 16:55:30 -560.883522 28.907023 BFGS: 241 16:55:30 -561.622165 28.812506 BFGS: 242 16:55:31 -562.351451 28.850995 BFGS: 243 16:55:31 -563.076685 28.871949 BFGS: 244 16:55:31 -563.788947 29.089013 BFGS: 245 16:55:32 -564.499418 29.191999 BFGS: 246 16:55:32 -565.190056 29.604606 BFGS: 247 16:55:32 -565.881733 29.781958 BFGS: 248 16:55:33 -566.550463 30.337607 BFGS: 249 16:55:33 -567.220479 30.657749 BFGS: 250 16:55:34 -567.871227 31.248716 BFGS: 251 16:55:34 -568.518875 31.728013 BFGS: 252 16:55:35 -569.152762 32.354104 BFGS: 253 16:55:35 -569.781331 32.940296 BFGS: 254 16:55:35 -570.400085 33.598226 BFGS: 255 16:55:36 -571.013293 34.252339 BFGS: 256 16:55:36 -571.619639 34.962834 BFGS: 257 16:55:37 -572.220698 35.668415 BFGS: 258 16:55:37 -572.816947 36.404358 BFGS: 259 16:55:37 -573.410029 37.154327 BFGS: 260 16:55:38 -573.999912 37.919906 BFGS: 261 16:55:38 -574.587998 38.685513 BFGS: 262 16:55:39 -575.174544 39.482898 BFGS: 263 16:55:39 -575.759969 40.278343 BFGS: 264 16:55:39 -576.344764 41.088403 BFGS: 265 16:55:40 -576.930642 41.899958 BFGS: 266 16:55:40 -577.515005 42.738856 BFGS: 267 16:55:40 -578.101254 43.574257 BFGS: 268 16:55:41 -578.686465 44.434722 BFGS: 269 16:55:41 -579.275077 45.310680 BFGS: 270 16:55:42 -579.866547 46.196707 BFGS: 271 16:55:42 -580.468284 47.066019 BFGS: 272 16:55:42 -581.071240 47.947225 BFGS: 273 16:55:43 -581.674272 48.841265 BFGS: 274 16:55:43 -582.283128 49.754914 BFGS: 275 16:55:44 -582.897728 50.693022 BFGS: 276 16:55:44 -583.520750 51.657354 BFGS: 277 16:55:45 -584.156173 52.635052 BFGS: 278 16:55:45 -584.805717 53.635777 BFGS: 279 16:55:45 -585.474915 54.648773 BFGS: 280 16:55:46 -586.168786 55.684074 BFGS: 281 16:55:46 -586.894269 56.740241 BFGS: 282 16:55:47 -587.657252 57.817221 BFGS: 283 16:55:47 -588.467736 58.919643 BFGS: 284 16:55:47 -589.340678 60.057707 BFGS: 285 16:55:47 -590.288414 61.213796 BFGS: 286 16:55:48 -591.331591 62.408449 BFGS: 287 16:55:48 -592.494945 63.639409 BFGS: 288 16:55:49 -593.810538 64.908475 BFGS: 289 16:55:49 -595.315096 66.214381 BFGS: 290 16:55:50 -597.040858 67.552854 BFGS: 291 16:55:50 -598.988831 68.914987 BFGS: 292 16:55:50 -601.059980 70.266093 BFGS: 293 16:55:51 -603.008054 71.556182 BFGS: 294 16:55:51 -604.574192 72.398035 BFGS: 295 16:55:52 -605.579524 72.052126 BFGS: 296 16:55:52 -606.675436 70.800798 BFGS: 297 16:55:53 -607.873776 69.610921 BFGS: 298 16:55:54 -609.046114 68.488827 BFGS: 299 16:55:54 -610.134951 67.347617 BFGS: 300 16:55:54 -611.134183 66.189724 BFGS: 301 16:55:55 -612.050093 65.027366 BFGS: 302 16:55:55 -612.891813 63.874157 BFGS: 303 16:55:56 -613.668613 62.735344 BFGS: 304 16:55:57 -614.389038 61.635256 BFGS: 305 16:55:57 -615.059995 60.564225 BFGS: 306 16:55:57 -615.688581 59.528408 BFGS: 307 16:55:57 -616.280555 58.532082 BFGS: 308 16:55:57 -616.840631 57.576514 BFGS: 309 16:55:58 -617.373067 56.652528 BFGS: 310 16:55:58 -617.880925 55.764596 BFGS: 311 16:55:58 -618.367667 54.910640 BFGS: 312 16:55:59 -618.836000 54.085228 BFGS: 313 16:55:59 -619.288411 53.300980 BFGS: 314 16:56:00 -619.726220 52.544039 BFGS: 315 16:56:00 -620.151250 51.814275 BFGS: 316 16:56:01 -620.565051 51.110601 BFGS: 317 16:56:01 -620.968961 50.430072 BFGS: 318 16:56:01 -621.364225 49.772477 BFGS: 319 16:56:02 -621.751568 49.136736 BFGS: 320 16:56:02 -622.132183 48.519790 BFGS: 321 16:56:02 -622.506966 47.920900 BFGS: 322 16:56:03 -622.876749 47.339459 BFGS: 323 16:56:03 -623.242195 46.771927 BFGS: 324 16:56:04 -623.603993 46.217632 BFGS: 325 16:56:04 -623.962806 45.675445 BFGS: 326 16:56:04 -624.319232 45.143981 BFGS: 327 16:56:05 -624.673843 44.621974 BFGS: 328 16:56:05 -625.027181 44.108260 BFGS: 329 16:56:05 -625.379782 43.601812 BFGS: 330 16:56:06 -625.733630 43.106510 BFGS: 331 16:56:06 -626.087642 42.617006 BFGS: 332 16:56:07 -626.442460 42.134305 BFGS: 333 16:56:07 -626.798624 41.647866 BFGS: 334 16:56:07 -627.157009 41.172276 BFGS: 335 16:56:08 -627.518122 40.701399 BFGS: 336 16:56:08 -627.882972 40.236039 BFGS: 337 16:56:09 -628.252104 39.782823 BFGS: 338 16:56:09 -628.626729 39.345749 BFGS: 339 16:56:09 -629.008282 38.921237 BFGS: 340 16:56:09 -629.398211 38.525758 BFGS: 341 16:56:10 -629.796667 38.158598 BFGS: 342 16:56:10 -630.206393 37.819186 BFGS: 343 16:56:10 -630.628482 37.525502 BFGS: 344 16:56:11 -631.064526 37.290761 BFGS: 345 16:56:11 -631.516493 37.119131 BFGS: 346 16:56:11 -631.984326 37.032026 BFGS: 347 16:56:12 -632.470586 37.044086 BFGS: 348 16:56:12 -632.975108 37.151538 BFGS: 349 16:56:13 -633.497488 37.382068 BFGS: 350 16:56:13 -634.039952 37.746098 BFGS: 351 16:56:13 -634.601652 38.256031 BFGS: 352 16:56:14 -635.185349 38.910714 BFGS: 353 16:56:14 -635.789524 39.713239 BFGS: 354 16:56:15 -636.421001 40.634223 BFGS: 355 16:56:15 -637.079504 41.662861 BFGS: 356 16:56:15 -637.775948 42.734121 BFGS: 357 16:56:16 -638.516275 43.783855 BFGS: 358 16:56:16 -639.303790 44.724837 BFGS: 359 16:56:17 -640.134725 45.470740 BFGS: 360 16:56:17 -640.997085 45.968981 BFGS: 361 16:56:17 -641.875100 46.211520 BFGS: 362 16:56:17 -642.753246 46.267413 BFGS: 363 16:56:18 -643.627436 46.166736 BFGS: 364 16:56:18 -644.493288 45.953450 BFGS: 365 16:56:19 -645.351092 45.682959 BFGS: 366 16:56:19 -646.201352 45.366303 BFGS: 367 16:56:19 -647.050737 45.008338 BFGS: 368 16:56:20 -647.899358 44.631091 BFGS: 369 16:56:20 -648.753257 44.216845 BFGS: 370 16:56:21 -649.613023 43.774721 BFGS: 371 16:56:21 -650.479610 43.306133 BFGS: 372 16:56:22 -651.356182 42.798732 BFGS: 373 16:56:22 -652.240650 42.261175 BFGS: 374 16:56:23 -653.135050 41.684760 BFGS: 375 16:56:23 -654.039042 41.069734 BFGS: 376 16:56:23 -654.952369 40.421394 BFGS: 377 16:56:24 -655.871064 39.720193 BFGS: 378 16:56:24 -656.797082 38.980735 BFGS: 379 16:56:25 -657.729916 38.196999 BFGS: 380 16:56:25 -658.662316 37.364286 BFGS: 381 16:56:26 -659.597141 36.461886 BFGS: 382 16:56:26 -660.532203 35.505566 BFGS: 383 16:56:27 -661.457893 34.475554 BFGS: 384 16:56:27 -662.390883 33.391263 BFGS: 385 16:56:28 -663.285526 32.216994 BFGS: 386 16:56:28 -664.208447 31.032977 BFGS: 387 16:56:29 -665.069483 29.769210 BFGS: 388 16:56:29 -665.944991 28.492656 BFGS: 389 16:56:30 -666.781339 27.197148 BFGS: 390 16:56:31 -667.608314 25.928746 BFGS: 391 16:56:31 -668.419574 24.681233 BFGS: 392 16:56:31 -669.229877 23.474883 BFGS: 393 16:56:32 -670.041682 22.315922 BFGS: 394 16:56:32 -670.863928 21.189705 BFGS: 395 16:56:32 -671.698516 20.106500 BFGS: 396 16:56:32 -672.531827 18.990981 BFGS: 397 16:56:33 -673.379414 18.144362 BFGS: 398 16:56:33 -674.247667 18.276368 BFGS: 399 16:56:34 -675.148603 18.376670 BFGS: 400 16:56:34 -676.086765 20.580984 BFGS: 401 16:56:35 -677.071662 23.291600 BFGS: 402 16:56:35 -678.100423 26.104877 BFGS: 403 16:56:36 -679.130799 28.906946 BFGS: 404 16:56:36 -680.134885 31.491378 BFGS: 405 16:56:37 -681.195059 34.667446 BFGS: 406 16:56:37 -682.086130 36.256895 BFGS: 407 16:56:37 -683.064888 38.499552 BFGS: 408 16:56:37 -683.939999 39.731012 BFGS: 409 16:56:37 -684.842167 40.768589 BFGS: 410 16:56:38 -685.722468 41.114036 BFGS: 411 16:56:38 -686.637584 40.991992 BFGS: 412 16:56:38 -687.582030 40.291681 BFGS: 413 16:56:38 -688.578715 39.130438 BFGS: 414 16:56:39 -689.578601 37.634599 BFGS: 415 16:56:39 -690.576723 35.932425 BFGS: 416 16:56:40 -691.569008 34.074401 BFGS: 417 16:56:40 -692.547708 32.192747 BFGS: 418 16:56:40 -693.514823 30.281431 BFGS: 419 16:56:41 -694.468869 28.437003 BFGS: 420 16:56:41 -695.417589 26.630437 BFGS: 421 16:56:41 -696.363736 24.909681 BFGS: 422 16:56:42 -697.313383 23.253464 BFGS: 423 16:56:42 -698.269304 21.715212 BFGS: 424 16:56:42 -699.237827 21.371264 BFGS: 425 16:56:42 -700.218205 21.939129 BFGS: 426 16:56:43 -701.216741 22.524261 BFGS: 427 16:56:43 -702.229379 23.075086 BFGS: 428 16:56:43 -703.263832 23.650857 BFGS: 429 16:56:44 -704.313089 24.167649 BFGS: 430 16:56:44 -705.386266 24.738270 BFGS: 431 16:56:44 -706.449195 25.201689 BFGS: 432 16:56:45 -707.503686 25.726220 BFGS: 433 16:56:45 -708.525519 26.100419 BFGS: 434 16:56:45 -709.547896 26.570851 BFGS: 435 16:56:46 -710.539428 26.876470 BFGS: 436 16:56:46 -711.534760 27.276681 BFGS: 437 16:56:46 -712.505260 27.537533 BFGS: 438 16:56:46 -713.477684 27.853507 BFGS: 439 16:56:47 -714.432478 28.078310 BFGS: 440 16:56:47 -715.386087 28.326596 BFGS: 441 16:56:47 -716.327946 28.504403 BFGS: 442 16:56:47 -717.266625 28.690215 BFGS: 443 16:56:48 -718.196061 28.834537 BFGS: 444 16:56:48 -719.122144 28.971930 BFGS: 445 16:56:48 -720.041584 29.074614 BFGS: 446 16:56:48 -720.957695 29.164403 BFGS: 447 16:56:48 -721.868226 29.229799 BFGS: 448 16:56:49 -722.775346 29.276527 BFGS: 449 16:56:49 -723.677629 29.306695 BFGS: 450 16:56:49 -724.576342 29.321604 BFGS: 451 16:56:49 -725.470892 29.315929 BFGS: 452 16:56:50 -726.362165 29.299838 BFGS: 453 16:56:50 -727.249537 29.258803 BFGS: 454 16:56:50 -728.133637 29.208759 BFGS: 455 16:56:51 -729.013848 29.144748 BFGS: 456 16:56:51 -729.890956 29.067011 BFGS: 457 16:56:52 -730.763911 28.972098 BFGS: 458 16:56:52 -731.633307 28.863469 BFGS: 459 16:56:52 -732.499157 28.739312 BFGS: 460 16:56:53 -733.361659 28.600233 BFGS: 461 16:56:53 -734.221084 28.445171 BFGS: 462 16:56:53 -735.077169 28.279665 BFGS: 463 16:56:54 -735.929750 28.098529 BFGS: 464 16:56:54 -736.779208 27.903865 BFGS: 465 16:56:55 -737.625482 27.695298 BFGS: 466 16:56:55 -738.468539 27.471761 BFGS: 467 16:56:55 -739.308545 27.234267 BFGS: 468 16:56:56 -740.145439 26.981043 BFGS: 469 16:56:56 -740.979679 26.709074 BFGS: 470 16:56:57 -741.811049 26.430656 BFGS: 471 16:56:57 -742.639561 26.129907 BFGS: 472 16:56:57 -743.465670 25.816421 BFGS: 473 16:56:58 -744.289829 25.486028 BFGS: 474 16:56:58 -745.112577 25.132928 BFGS: 475 16:56:58 -745.935402 24.763192 BFGS: 476 16:56:58 -746.758236 24.766404 BFGS: 477 16:56:59 -747.582982 24.989797 BFGS: 478 16:56:59 -748.410095 25.208370 BFGS: 479 16:56:59 -749.243169 25.438296 BFGS: 480 16:56:59 -750.082289 25.668226 BFGS: 481 16:56:59 -750.931705 25.917532 BFGS: 482 16:56:59 -751.792037 26.178599 BFGS: 483 16:56:59 -752.666655 26.460556 BFGS: 484 16:56:59 -753.556714 26.756130 BFGS: 485 16:56:59 -754.466106 27.079872 BFGS: 486 16:57:00 -755.394311 27.421621 BFGS: 487 16:57:00 -756.344184 27.782061 BFGS: 488 16:57:00 -757.311983 28.135679 BFGS: 489 16:57:01 -758.299429 28.480917 BFGS: 490 16:57:01 -759.302767 28.778738 BFGS: 491 16:57:02 -760.318959 28.997385 BFGS: 492 16:57:02 -761.340349 29.068274 BFGS: 493 16:57:02 -762.360123 28.938457 BFGS: 494 16:57:03 -763.359369 28.498523 BFGS: 495 16:57:03 -764.323492 27.674195 BFGS: 496 16:57:03 -765.229883 26.408218 BFGS: 497 16:57:04 -766.063041 25.022094 BFGS: 498 16:57:04 -766.815616 24.706108 BFGS: 499 16:57:04 -767.493631 23.974767 BFGS: 500 16:57:04 -768.112283 22.841076 BFGS: 501 16:57:05 -768.686551 21.496093 BFGS: 502 16:57:05 -769.230276 21.475559 BFGS: 503 16:57:05 -769.752620 21.542317 BFGS: 504 16:57:05 -770.261882 21.565971 BFGS: 505 16:57:06 -770.762385 21.539118 BFGS: 506 16:57:06 -771.258423 21.476712 BFGS: 507 16:57:06 -771.751825 21.390891 BFGS: 508 16:57:07 -772.242946 21.285519 BFGS: 509 16:57:07 -772.733561 21.163716 BFGS: 510 16:57:07 -773.222153 21.043453 BFGS: 511 16:57:08 -773.709725 20.909751 BFGS: 512 16:57:08 -774.195677 20.771531 BFGS: 513 16:57:08 -774.680127 20.638136 BFGS: 514 16:57:09 -775.162242 20.503341 BFGS: 515 16:57:09 -775.642156 20.373972 BFGS: 516 16:57:09 -776.119446 20.235876 BFGS: 517 16:57:10 -776.594606 20.110009 BFGS: 518 16:57:10 -777.067077 19.973260 BFGS: 519 16:57:10 -777.537104 19.850333 BFGS: 520 16:57:11 -778.004671 19.720944 BFGS: 521 16:57:11 -778.469821 19.605804 BFGS: 522 16:57:11 -778.932521 19.487996 BFGS: 523 16:57:12 -779.393334 19.372421 BFGS: 524 16:57:12 -779.852311 19.262865 BFGS: 525 16:57:13 -780.310048 19.145318 BFGS: 526 16:57:13 -780.767764 19.041021 BFGS: 527 16:57:14 -781.225648 18.934760 BFGS: 528 16:57:14 -781.683481 18.823711 BFGS: 529 16:57:14 -782.142571 18.710387 BFGS: 530 16:57:14 -782.604332 18.601828 BFGS: 531 16:57:15 -783.068908 18.494570 BFGS: 532 16:57:15 -783.535531 18.382048 BFGS: 533 16:57:15 -784.005495 18.267745 BFGS: 534 16:57:16 -784.480115 18.164784 BFGS: 535 16:57:16 -784.958556 18.048644 BFGS: 536 16:57:16 -785.441000 17.932022 BFGS: 537 16:57:16 -785.928687 17.800624 BFGS: 538 16:57:16 -786.420479 17.683753 BFGS: 539 16:57:17 -786.916541 17.566000 BFGS: 540 16:57:17 -787.416900 17.451616 BFGS: 541 16:57:17 -787.921808 17.343494 BFGS: 542 16:57:18 -788.428862 17.201552 BFGS: 543 16:57:18 -788.939108 17.071388 BFGS: 544 16:57:19 -789.452091 16.934507 BFGS: 545 16:57:19 -789.963835 17.127704 BFGS: 546 16:57:20 -790.473586 17.363896 BFGS: 547 16:57:20 -790.980549 17.606168 BFGS: 548 16:57:20 -791.485234 17.879991 BFGS: 549 16:57:21 -791.987722 18.169280 BFGS: 550 16:57:21 -792.487690 18.505014 BFGS: 551 16:57:21 -792.984241 18.831124 BFGS: 552 16:57:22 -793.478235 19.190793 BFGS: 553 16:57:22 -793.969259 19.567828 BFGS: 554 16:57:22 -794.456867 19.956864 BFGS: 555 16:57:22 -794.940900 20.351349 BFGS: 556 16:57:22 -795.421501 20.758529 BFGS: 557 16:57:23 -795.898500 21.176511 BFGS: 558 16:57:23 -796.372569 21.636195 BFGS: 559 16:57:24 -796.842261 22.057046 BFGS: 560 16:57:24 -797.308173 22.496622 BFGS: 561 16:57:24 -797.769650 22.929494 BFGS: 562 16:57:25 -798.226995 23.363507 BFGS: 563 16:57:25 -798.679785 23.798015 BFGS: 564 16:57:26 -799.127591 24.230300 BFGS: 565 16:57:26 -799.570758 24.662202 BFGS: 566 16:57:26 -800.009541 25.099983 BFGS: 567 16:57:27 -800.442396 25.516685 BFGS: 568 16:57:27 -800.870276 25.932106 BFGS: 569 16:57:27 -801.291784 26.338305 BFGS: 570 16:57:28 -801.707795 26.740961 BFGS: 571 16:57:28 -802.118082 27.139702 BFGS: 572 16:57:28 -802.521923 27.509516 BFGS: 573 16:57:29 -802.920554 27.891158 BFGS: 574 16:57:29 -803.312645 28.239528 BFGS: 575 16:57:30 -803.698997 28.583850 BFGS: 576 16:57:30 -804.079446 28.903234 BFGS: 577 16:57:30 -804.454495 29.234514 BFGS: 578 16:57:30 -804.823321 29.529030 BFGS: 579 16:57:31 -805.187196 29.820862 BFGS: 580 16:57:31 -805.545698 30.102417 BFGS: 581 16:57:31 -805.898726 30.353742 BFGS: 582 16:57:32 -806.246939 30.593544 BFGS: 583 16:57:32 -806.590512 30.812668 BFGS: 584 16:57:32 -806.930046 31.042278 BFGS: 585 16:57:32 -807.264711 31.235061 BFGS: 586 16:57:33 -807.595604 31.418709 BFGS: 587 16:57:33 -807.922656 31.580270 BFGS: 588 16:57:33 -808.246253 31.726996 BFGS: 589 16:57:34 -808.566345 31.852023 BFGS: 590 16:57:34 -808.883776 31.978302 BFGS: 591 16:57:34 -809.198327 32.084296 BFGS: 592 16:57:35 -809.510349 32.188526 BFGS: 593 16:57:35 -809.820004 32.275887 BFGS: 594 16:57:35 -810.127743 32.366061 BFGS: 595 16:57:36 -810.433114 32.434313 BFGS: 596 16:57:36 -810.736889 32.508250 BFGS: 597 16:57:37 -811.039252 32.558488 BFGS: 598 16:57:37 -811.340244 32.634748 BFGS: 599 16:57:38 -811.639775 32.677301 BFGS: 600 16:57:38 -811.938592 32.725865 BFGS: 601 16:57:38 -812.236506 32.762813 BFGS: 602 16:57:39 -812.534043 32.797711 BFGS: 603 16:57:39 -812.831305 32.845231 BFGS: 604 16:57:39 -813.127830 32.880292 BFGS: 605 16:57:39 -813.424277 32.914226 BFGS: 606 16:57:40 -813.720691 32.947008 BFGS: 607 16:57:40 -814.017454 32.991678 BFGS: 608 16:57:40 -814.314188 33.040408 BFGS: 609 16:57:41 -814.611026 33.085041 BFGS: 610 16:57:41 -814.908344 33.132875 BFGS: 611 16:57:42 -815.206182 33.248454 BFGS: 612 16:57:42 -815.504630 33.570537 BFGS: 613 16:57:42 -815.803757 33.887115 BFGS: 614 16:57:42 -816.103619 34.197787 BFGS: 615 16:57:43 -816.404243 34.502019 BFGS: 616 16:57:43 -816.705558 34.800191 BFGS: 617 16:57:44 -817.005948 35.075196 BFGS: 618 16:57:44 -817.308502 35.345881 BFGS: 619 16:57:44 -817.616894 35.609737 BFGS: 620 16:57:45 -817.934674 35.874878 BFGS: 621 16:57:45 -818.267302 36.143948 BFGS: 622 16:57:46 -818.620552 36.423016 BFGS: 623 16:57:46 -819.000800 36.706251 BFGS: 624 16:57:46 -819.415687 37.015224 BFGS: 625 16:57:47 -819.869203 37.326815 BFGS: 626 16:57:47 -820.365757 37.647845 BFGS: 627 16:57:48 -820.905377 37.965291 BFGS: 628 16:57:48 -821.485262 38.269539 BFGS: 629 16:57:48 -822.099615 38.552510 BFGS: 630 16:57:49 -822.740044 38.816860 BFGS: 631 16:57:49 -823.394176 39.041531 BFGS: 632 16:57:49 -824.052022 39.227633 BFGS: 633 16:57:50 -824.704105 39.376533 BFGS: 634 16:57:50 -825.341741 39.483245 BFGS: 635 16:57:51 -825.960407 39.541698 BFGS: 636 16:57:51 -826.557445 39.579719 BFGS: 637 16:57:51 -827.133838 39.584300 BFGS: 638 16:57:52 -827.693325 39.567592 BFGS: 639 16:57:52 -828.238648 39.534059 BFGS: 640 16:57:52 -828.772493 39.491705 BFGS: 641 16:57:52 -829.295975 39.427382 BFGS: 642 16:57:52 -829.811894 39.353647 BFGS: 643 16:57:53 -830.321884 39.272085 BFGS: 644 16:57:53 -830.827089 39.222025 BFGS: 645 16:57:53 -831.329202 39.151636 BFGS: 646 16:57:54 -831.827552 39.047769 BFGS: 647 16:57:54 -832.323479 38.929155 BFGS: 648 16:57:54 -832.817471 38.808433 BFGS: 649 16:57:55 -833.309317 38.674992 BFGS: 650 16:57:55 -833.799024 38.554429 BFGS: 651 16:57:55 -834.287538 38.438547 BFGS: 652 16:57:56 -834.774870 38.321519 BFGS: 653 16:57:56 -835.261175 38.204505 BFGS: 654 16:57:57 -835.746263 38.075328 BFGS: 655 16:57:57 -836.229908 37.959565 BFGS: 656 16:57:57 -836.712157 37.842940 BFGS: 657 16:57:58 -837.193257 37.727471 BFGS: 658 16:57:58 -837.672973 37.612190 BFGS: 659 16:57:58 -838.150788 37.497498 BFGS: 660 16:57:59 -838.626811 37.380041 BFGS: 661 16:57:59 -839.101271 37.262760 BFGS: 662 16:57:59 -839.573614 37.139312 BFGS: 663 16:57:59 -840.044129 37.011627 BFGS: 664 16:58:00 -840.511356 36.868337 BFGS: 665 16:58:00 -840.975976 36.710208 BFGS: 666 16:58:00 -841.435092 36.515490 BFGS: 667 16:58:00 -841.878457 36.275271 BFGS: 668 16:58:01 -842.317775 36.164755 BFGS: 669 16:58:01 -842.864265 35.917650 BFGS: 670 16:58:01 -843.506388 35.479895 BFGS: 671 16:58:02 -844.138573 35.060633 BFGS: 672 16:58:02 -844.766111 34.672272 BFGS: 673 16:58:03 -845.413181 34.271002 BFGS: 674 16:58:03 -846.119564 33.800475 BFGS: 675 16:58:03 -846.854651 33.396061 BFGS: 676 16:58:03 -847.635000 32.968757 BFGS: 677 16:58:04 -848.455370 32.537680 BFGS: 678 16:58:04 -849.323618 32.056978 BFGS: 679 16:58:04 -850.240857 31.504616 BFGS: 680 16:58:04 -851.175900 30.846093 BFGS: 681 16:58:05 -851.960568 30.548190 BFGS: 682 16:58:05 -852.836941 30.294939 BFGS: 683 16:58:05 -853.714009 30.086350 BFGS: 684 16:58:06 -854.586119 29.916066 BFGS: 685 16:58:06 -855.452105 29.778130 BFGS: 686 16:58:06 -856.311402 29.663711 BFGS: 687 16:58:07 -857.161637 29.566832 BFGS: 688 16:58:07 -858.002739 29.484836 BFGS: 689 16:58:07 -858.833673 29.391919 BFGS: 690 16:58:08 -859.654614 29.304981 BFGS: 691 16:58:08 -860.465070 29.208343 BFGS: 692 16:58:08 -861.265957 29.094715 BFGS: 693 16:58:09 -862.057540 28.955961 BFGS: 694 16:58:09 -862.841392 28.783201 BFGS: 695 16:58:09 -863.617220 28.564352 BFGS: 696 16:58:09 -864.386426 28.285172 BFGS: 697 16:58:10 -865.148904 27.924827 BFGS: 698 16:58:10 -865.903959 27.456165 BFGS: 699 16:58:10 -866.654023 26.834258 BFGS: 700 16:58:11 -867.394421 25.993721 BFGS: 701 16:58:11 -868.122451 24.830646 BFGS: 702 16:58:11 -868.834262 23.201440 BFGS: 703 16:58:12 -869.549069 21.053744 BFGS: 704 16:58:12 -870.344750 19.484770 BFGS: 705 16:58:13 -871.164195 19.738959 BFGS: 706 16:58:13 -872.099168 19.982502 BFGS: 707 16:58:14 -873.084962 20.360229 BFGS: 708 16:58:14 -874.175808 20.753179 BFGS: 709 16:58:15 -875.271717 21.238461 BFGS: 710 16:58:15 -876.351501 21.687065 BFGS: 711 16:58:16 -877.453526 22.175023 BFGS: 712 16:58:16 -878.577474 22.854532 BFGS: 713 16:58:16 -879.727531 23.439439 BFGS: 714 16:58:16 -880.870905 24.146343 BFGS: 715 16:58:16 -882.002663 24.743667 BFGS: 716 16:58:16 -883.116003 25.433819 BFGS: 717 16:58:16 -884.258411 25.866634 BFGS: 718 16:58:16 -885.451337 26.291205 BFGS: 719 16:58:16 -886.731670 26.292394 BFGS: 720 16:58:16 -888.065890 26.242429 BFGS: 721 16:58:16 -889.492654 25.743810 BFGS: 722 16:58:16 -890.950583 25.194138 BFGS: 723 16:58:17 -892.502806 24.811617 BFGS: 724 16:58:17 -894.094538 25.077273 BFGS: 725 16:58:17 -895.813981 25.616699 BFGS: 726 16:58:17 -897.572043 25.795322 BFGS: 727 16:58:17 -899.494634 26.281039 BFGS: 728 16:58:17 -901.308369 26.456406 BFGS: 729 16:58:17 -903.183199 27.660317 BFGS: 730 16:58:17 -904.770712 29.041430 BFGS: 731 16:58:17 -906.388069 29.694322 BFGS: 732 16:58:18 -907.851206 30.434815 BFGS: 733 16:58:18 -909.315439 30.728837 BFGS: 734 16:58:19 -910.694431 31.081729 BFGS: 735 16:58:19 -912.070884 31.170747 BFGS: 736 16:58:19 -913.399680 31.323523 BFGS: 737 16:58:20 -914.729633 31.301265 BFGS: 738 16:58:20 -916.042937 31.339882 BFGS: 739 16:58:21 -917.362013 33.836498 BFGS: 740 16:58:21 -918.680255 37.483586 BFGS: 741 16:58:22 -920.017311 41.091580 BFGS: 742 16:58:22 -921.368812 44.651467 BFGS: 743 16:58:23 -922.746733 48.127833 BFGS: 744 16:58:23 -924.159381 51.531114 BFGS: 745 16:58:23 -925.613745 54.713876 BFGS: 746 16:58:24 -927.120294 57.465864 BFGS: 747 16:58:24 -928.700329 59.124740 BFGS: 748 16:58:24 -930.382183 58.416046 BFGS: 749 16:58:25 -932.266077 53.424400 BFGS: 750 16:58:25 -933.959563 47.045884 BFGS: 751 16:58:26 -935.589415 36.082572 BFGS: 752 16:58:26 -936.883970 31.878307 BFGS: 753 16:58:27 -938.028758 27.994055 BFGS: 754 16:58:27 -938.932132 24.794076 BFGS: 755 16:58:27 -939.749470 22.134612 BFGS: 756 16:58:28 -940.464519 19.841671 BFGS: 757 16:58:28 -941.118401 17.836649 BFGS: 758 16:58:28 -941.712611 16.068242 BFGS: 759 16:58:29 -942.261396 14.503142 BFGS: 760 16:58:29 -942.768874 13.126036 BFGS: 761 16:58:30 -943.242173 11.928414 BFGS: 762 16:58:30 -943.686009 11.945230 BFGS: 763 16:58:30 -944.104514 12.025656 BFGS: 764 16:58:31 -944.500876 12.110664 BFGS: 765 16:58:31 -944.879014 12.204703 BFGS: 766 16:58:31 -945.241679 12.299732 BFGS: 767 16:58:31 -945.591890 12.397725 BFGS: 768 16:58:32 -945.932168 12.496579 BFGS: 769 16:58:32 -946.264606 12.786138 BFGS: 770 16:58:32 -946.591002 13.103384 BFGS: 771 16:58:33 -946.913290 13.382860 BFGS: 772 16:58:33 -947.232954 13.626448 BFGS: 773 16:58:33 -947.551439 13.839378 BFGS: 774 16:58:34 -947.869679 14.022731 BFGS: 775 16:58:34 -948.188941 14.180935 BFGS: 776 16:58:34 -948.509490 14.312303 BFGS: 777 16:58:35 -948.832757 14.430221 BFGS: 778 16:58:35 -949.158628 14.527418 BFGS: 779 16:58:35 -949.487966 14.614271 BFGS: 780 16:58:36 -949.820709 14.687171 BFGS: 781 16:58:36 -950.157103 14.750958 BFGS: 782 16:58:37 -950.496929 14.803886 BFGS: 783 16:58:37 -950.840105 14.857344 BFGS: 784 16:58:37 -951.185622 14.886065 BFGS: 785 16:58:38 -951.533601 14.907235 BFGS: 786 16:58:38 -951.883023 15.330669 BFGS: 787 16:58:39 -952.233546 15.772042 BFGS: 788 16:58:39 -952.583896 16.205362 BFGS: 789 16:58:39 -952.933553 16.618711 BFGS: 790 16:58:40 -953.280558 17.010564 BFGS: 791 16:58:40 -953.624692 17.362776 BFGS: 792 16:58:41 -953.963878 17.675735 BFGS: 793 16:58:41 -954.298151 17.924599 BFGS: 794 16:58:42 -954.626740 18.105969 BFGS: 795 16:58:42 -954.952401 18.498049 BFGS: 796 16:58:43 -955.279659 19.025020 BFGS: 797 16:58:43 -955.621125 19.459164 BFGS: 798 16:58:43 -955.998913 20.045926 BFGS: 799 16:58:44 -956.459587 20.445362 BFGS: 800 16:58:44 -957.081913 21.267161 BFGS: 801 16:58:45 -958.042142 21.408459 BFGS: 802 16:58:45 -959.577212 22.761671 BFGS: 803 16:58:45 -960.820178 19.540964 BFGS: 804 16:58:45 -961.578173 20.503798 BFGS: 805 16:58:45 -962.156982 21.148913 BFGS: 806 16:58:45 -962.735110 20.771319 BFGS: 807 16:58:45 -963.278451 19.268086 BFGS: 808 16:58:46 -963.873570 17.020789 BFGS: 809 16:58:46 -964.544411 16.958763 BFGS: 810 16:58:46 -965.226952 17.856015 BFGS: 811 16:58:46 -965.905976 18.860587 BFGS: 812 16:58:46 -966.641138 19.380537 BFGS: 813 16:58:46 -967.450519 19.569654 BFGS: 814 16:58:46 -968.337617 19.526452 BFGS: 815 16:58:46 -969.301461 19.313898 BFGS: 816 16:58:46 -970.335200 18.898005 BFGS: 817 16:58:46 -971.432914 18.264532 BFGS: 818 16:58:47 -972.528531 17.352784 BFGS: 819 16:58:47 -973.489166 16.191930 BFGS: 820 16:58:47 -974.350774 14.796607 BFGS: 821 16:58:47 -975.138737 13.181702 BFGS: 822 16:58:47 -975.875421 11.492058 BFGS: 823 16:58:47 -976.572861 9.748130 BFGS: 824 16:58:47 -977.247676 11.243152 BFGS: 825 16:58:47 -977.918883 15.237961 BFGS: 826 16:58:48 -978.613808 19.668670 BFGS: 827 16:58:48 -979.132659 22.753220 BFGS: 828 16:58:48 -979.571627 24.753846 BFGS: 829 16:58:49 -979.976240 26.052865 BFGS: 830 16:58:49 -980.361997 26.625093 BFGS: 831 16:58:49 -980.733954 26.870321 BFGS: 832 16:58:50 -981.094625 26.268602 BFGS: 833 16:58:50 -981.440565 25.731668 BFGS: 834 16:58:51 -981.774308 24.057571 BFGS: 835 16:58:51 -982.095302 22.543235 BFGS: 836 16:58:51 -982.416111 19.976040 BFGS: 837 16:58:52 -982.756965 17.105793 BFGS: 838 16:58:52 -983.178263 14.970583 BFGS: 839 16:58:52 -983.767053 15.687079 BFGS: 840 16:58:53 -984.510361 15.211553 BFGS: 841 16:58:53 -985.278802 17.144205 BFGS: 842 16:58:54 -986.016195 18.120433 BFGS: 843 16:58:54 -986.702415 18.064250 BFGS: 844 16:58:54 -987.315503 17.463103 BFGS: 845 16:58:55 -987.872865 16.312349 BFGS: 846 16:58:55 -988.374823 14.932987 BFGS: 847 16:58:56 -988.839075 13.184354 BFGS: 848 16:58:56 -989.260083 11.409711 BFGS: 849 16:58:56 -989.653583 10.857828 BFGS: 850 16:58:57 -990.000342 11.174132 BFGS: 851 16:58:57 -990.324882 11.992125 BFGS: 852 16:58:57 -990.566172 10.958642 BFGS: 853 16:58:58 -990.778093 11.744264 BFGS: 854 16:58:58 -990.887735 8.186265 BFGS: 855 16:58:58 -991.030002 6.362600 BFGS: 856 16:58:58 -991.253807 5.304397 BFGS: 857 16:58:59 -991.423291 5.130749 BFGS: 858 16:58:59 -991.591600 5.807085 BFGS: 859 16:58:59 -991.733764 5.037305 BFGS: 860 16:58:59 -991.837867 5.279934 BFGS: 861 16:59:00 -991.875480 4.130777 BFGS: 862 16:59:00 -991.895078 4.612233 BFGS: 863 16:59:00 -991.922851 4.730553 BFGS: 864 16:59:01 -991.956697 5.518780 BFGS: 865 16:59:01 -991.982301 5.678638 BFGS: 866 16:59:01 -991.996008 5.547776 BFGS: 867 16:59:02 -992.002885 5.078368 BFGS: 868 16:59:02 -992.007448 4.737424 BFGS: 869 16:59:02 -992.012339 4.422276 BFGS: 870 16:59:02 -992.017520 4.288706 BFGS: 871 16:59:03 -992.023557 4.346223 BFGS: 872 16:59:03 -992.030783 4.589934 BFGS: 873 16:59:03 -992.040986 4.980116 BFGS: 874 16:59:03 -992.056225 5.394949 BFGS: 875 16:59:03 -992.084086 5.820831 BFGS: 876 16:59:04 -992.132009 6.040153 BFGS: 877 16:59:04 -992.215959 5.805947 BFGS: 878 16:59:04 -992.320304 5.759512 BFGS: 879 16:59:05 -992.438528 6.316254 BFGS: 880 16:59:05 -992.556867 6.106433 BFGS: 881 16:59:05 -992.664491 5.386475 BFGS: 882 16:59:06 -992.753443 4.314640 BFGS: 883 16:59:06 -992.820438 3.002857 BFGS: 884 16:59:06 -992.860771 2.049846 BFGS: 885 16:59:07 -992.872475 1.954901 BFGS: 886 16:59:07 -992.874404 1.880095 BFGS: 887 16:59:07 -992.875981 1.774819 BFGS: 888 16:59:07 -992.876519 1.716301 BFGS: 889 16:59:08 -992.876925 1.693986 BFGS: 890 16:59:08 -992.877108 1.700237 BFGS: 891 16:59:08 -992.877219 1.723732 BFGS: 892 16:59:08 -992.877265 1.734002 BFGS: 893 16:59:08 -992.877289 1.748618 BFGS: 894 16:59:08 -992.877295 1.747750 BFGS: 895 16:59:08 -992.877301 1.744838 BFGS: 896 16:59:08 -992.877302 1.743227 BFGS: 897 16:59:08 -992.877303 1.740447 BFGS: 898 16:59:08 -992.877305 1.737679 BFGS: 899 16:59:08 -992.877312 1.732158 BFGS: 900 16:59:08 -992.877330 1.723873 BFGS: 901 16:59:08 -992.877376 1.709908 BFGS: 902 16:59:08 -992.877497 1.687661 BFGS: 903 16:59:08 -992.877814 1.651721 BFGS: 904 16:59:08 -992.878640 1.631526 BFGS: 905 16:59:08 -992.880787 1.736690 BFGS: 906 16:59:09 -992.886256 2.332489 BFGS: 907 16:59:09 -992.899530 3.277616 BFGS: 908 16:59:09 -992.928084 4.350306 BFGS: 909 16:59:09 -992.974285 4.758788 BFGS: 910 16:59:09 -993.014469 3.695873 BFGS: 911 16:59:09 -993.030415 2.098896 BFGS: 912 16:59:09 -993.032971 1.729458 BFGS: 913 16:59:09 -993.033223 1.719559 BFGS: 914 16:59:09 -993.033324 1.712944 BFGS: 915 16:59:09 -993.033362 1.710826 BFGS: 916 16:59:09 -993.033377 1.711398 BFGS: 917 16:59:09 -993.033382 1.713745 BFGS: 918 16:59:09 -993.033382 1.713924 BFGS: 919 16:59:09 -993.033383 1.715324 BFGS: 920 16:59:10 -993.033384 1.716149 BFGS: 921 16:59:10 -993.033386 1.718095 BFGS: 922 16:59:10 -993.033392 1.720855 BFGS: 923 16:59:10 -993.033407 1.725473 BFGS: 924 16:59:10 -993.033446 1.732870 BFGS: 925 16:59:10 -993.033550 1.744802 BFGS: 926 16:59:10 -993.033821 1.763917 BFGS: 927 16:59:10 -993.034529 1.794223 BFGS: 928 16:59:10 -993.036377 1.841388 BFGS: 929 16:59:10 -993.041171 2.315046 BFGS: 930 16:59:10 -993.053407 3.066950 BFGS: 931 16:59:10 -993.083363 4.108772 BFGS: 932 16:59:10 -993.150033 5.252292 BFGS: 933 16:59:11 -993.254983 5.661138 BFGS: 934 16:59:11 -993.358652 4.917969 BFGS: 935 16:59:11 -993.452872 3.294974 BFGS: 936 16:59:12 -993.511997 1.033796 BFGS: 937 16:59:12 -993.522507 0.299714 BFGS: 938 16:59:12 -993.524099 0.345143 BFGS: 939 16:59:13 -993.524649 0.220293 BFGS: 940 16:59:13 -993.524888 0.074211 BFGS: 941 16:59:13 -993.524930 0.013163 BFGS: 942 16:59:14 -993.524933 0.004243 BFGS: 943 16:59:14 -993.524933 0.002278 BFGS: 944 16:59:15 -993.524933 0.000429 BFGS: 945 16:59:15 -993.524933 0.000100 BFGS: 946 16:59:15 -993.524933 0.000043 BFGS: 947 16:59:15 -993.524933 0.000014 BFGS: 948 16:59:16 -993.524933 0.000003 BFGS: 949 16:59:16 -993.524933 0.000001 BFGS: 950 16:59:16 -993.524933 0.000000 BFGS: 951 16:59:17 -993.524933 0.000000 BFGS: 952 16:59:17 -993.524933 0.000000 BFGS: 953 16:59:18 -993.524933 0.000000 Minimization converged after 953 steps. Maximum force component: 1.0581898122997369e-08 eV/Angstrom Maximum stress component: 1.903243381088295e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'W', 'W', 'W', 'W'] basis = [[9.91608926e-02 0.00000000e+00 1.15624473e-01] [9.00839107e-01 4.76811630e-31 8.84375527e-01] [5.99160893e-01 5.00000000e-01 1.15624473e-01] [4.00839107e-01 5.00000000e-01 8.84375527e-01] [7.85626250e-01 2.40228058e-32 6.79622458e-01] [2.14373750e-01 0.00000000e+00 3.20377542e-01] [2.85626250e-01 5.00000000e-01 6.79622458e-01] [7.14373750e-01 5.00000000e-01 3.20377542e-01] [7.85626250e-01 0.00000000e+00 8.20377542e-01] [2.14373750e-01 1.42827900e-32 1.79622458e-01] [2.85626250e-01 5.00000000e-01 8.20377542e-01] [7.14373750e-01 5.00000000e-01 1.79622458e-01] [3.23580811e-01 0.00000000e+00 2.50000000e-01] [6.76419189e-01 0.00000000e+00 7.50000000e-01] [8.23580811e-01 5.00000000e-01 2.50000000e-01] [1.76419189e-01 5.00000000e-01 7.50000000e-01] [9.00839107e-01 1.33973340e-32 6.15624473e-01] [9.91608926e-02 8.75189826e-33 3.84375527e-01] [4.00839107e-01 5.00000000e-01 6.15624473e-01] [5.99160893e-01 5.00000000e-01 3.84375527e-01] [1.05169060e-01 0.00000000e+00 2.50000000e-01] [8.94830940e-01 3.54182393e-32 7.50000000e-01] [6.05169060e-01 5.00000000e-01 2.50000000e-01] [3.94830940e-01 5.00000000e-01 7.50000000e-01] [7.13613661e-01 6.33935153e-33 2.50000000e-01] [2.86386339e-01 0.00000000e+00 7.50000000e-01] [2.13613661e-01 5.00000000e-01 2.50000000e-01] [7.86386339e-01 5.00000000e-01 7.50000000e-01]] cellpar = Cell([[4.620529514219178, 4.610293907313195e-17, -1.1311160460105516], [-5.567248273595401e-17, 3.75199808934405, 2.125864044665169e-18], [1.0738258521786606, 9.313490652191626e-18, 4.386503100743638]]) forces = [[-4.72951758e-10 -5.24751885e-27 1.86962018e-09] [ 4.72951758e-10 5.24751885e-27 -1.86962018e-09] [-4.72951758e-10 -5.24751885e-27 1.86962018e-09] [ 4.72951758e-10 5.24751885e-27 -1.86962018e-09] [ 1.05818981e-08 1.06075409e-25 -4.21941504e-09] [-1.05818981e-08 -1.06075409e-25 4.21941504e-09] [ 1.05818981e-08 1.06075409e-25 -4.21941504e-09] [-1.05818981e-08 -1.06075409e-25 4.21941504e-09] [ 3.57616079e-09 3.39816944e-26 4.76857130e-09] [-3.57616079e-09 -3.39816944e-26 -4.76857130e-09] [ 3.57616079e-09 3.39816944e-26 4.76857130e-09] [-3.57616079e-09 -3.39816944e-26 -4.76857130e-09] [ 5.79933334e-09 5.71417038e-26 9.80233846e-10] [-5.79933334e-09 -5.71417038e-26 -9.80233846e-10] [ 5.79933334e-09 5.71417038e-26 9.80233846e-10] [-5.79933334e-09 -5.71417038e-26 -9.80233846e-10] [-5.84272638e-09 -5.92387855e-26 4.55301507e-09] [ 5.84272638e-09 5.92387855e-26 -4.55301507e-09] [-5.84272638e-09 -5.92387855e-26 4.55301507e-09] [ 5.84272638e-09 5.92387855e-26 -4.55301507e-09] [ 4.53312436e-09 4.41889796e-26 2.34780856e-09] [-4.53312436e-09 -4.41889796e-26 -2.34780856e-09] [ 4.53312436e-09 4.41889796e-26 2.34780856e-09] [-4.53312436e-09 -4.41889796e-26 -2.34780856e-09] [-2.25575987e-09 -2.06200583e-26 -5.71198960e-09] [ 2.25575987e-09 2.06200583e-26 5.71198960e-09] [-2.25575987e-09 -2.06200583e-26 -5.71198960e-09] [ 2.25575987e-09 2.06200583e-26 5.71198960e-09]] stress = [-1.90324338e-10 -1.12711379e-10 -9.83475511e-11 -2.55304340e-26 -3.84838973e-11 -1.70505652e-27] energy per atom = -35.48303332007007 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A6B_mC28_12_6i_i, while relaxed is A6B_oC28_63_2c2f_c. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.