element(s): ['Si'] AFLOW prototype label: A_mC16_12_4i Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['13.9056', '0.27794558', '1.0489443', '154.3362', '0.18156111', '0.12588526', '0.90562063', '0.34640648', '0.15579867', '0.9429254', '0.14139464', '0.41433526'] model name: MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.94432415 0. 0.87411474] [0.44078585 0. 0.65359352] [0.78712673 0. 0.0570746 ] [0.27294062 0. 0.58566474]] spacegroup = 12 cell = [[13.9056, 0, 0], [0, 3.865, 0], [0.75831798477852, 0, 6.3171480973586]] ========================================= Step Time Energy fmax BFGS: 0 18:04:30 -71.243126 1.284923 BFGS: 1 18:04:30 -71.477343 0.594339 BFGS: 2 18:04:31 -71.642140 0.292559 BFGS: 3 18:04:31 -71.795311 0.247491 BFGS: 4 18:04:31 -71.944343 0.236277 BFGS: 5 18:04:31 -72.097278 0.223109 BFGS: 6 18:04:31 -72.253550 0.308404 BFGS: 7 18:04:31 -72.429803 0.482046 BFGS: 8 18:04:31 -72.626070 0.631341 BFGS: 9 18:04:31 -72.835096 0.816213 BFGS: 10 18:04:31 -73.057400 0.999291 BFGS: 11 18:04:32 -73.297357 1.213616 BFGS: 12 18:04:32 -73.559752 1.453369 BFGS: 13 18:04:32 -73.849712 1.688017 BFGS: 14 18:04:32 -74.172445 1.911564 BFGS: 15 18:04:32 -74.533277 2.118186 BFGS: 16 18:04:32 -74.938331 2.301746 BFGS: 17 18:04:32 -75.396214 2.636317 BFGS: 18 18:04:32 -75.921545 3.019451 BFGS: 19 18:04:33 -76.523048 3.458426 BFGS: 20 18:04:33 -77.209044 3.957400 BFGS: 21 18:04:33 -77.998837 4.522892 BFGS: 22 18:04:33 -78.905090 5.148148 BFGS: 23 18:04:33 -79.928146 5.815128 BFGS: 24 18:04:33 -81.058758 6.503684 BFGS: 25 18:04:33 -82.284403 7.198628 BFGS: 26 18:04:34 -83.593296 7.891638 BFGS: 27 18:04:34 -84.974915 8.579504 BFGS: 28 18:04:34 -86.419110 9.261349 BFGS: 29 18:04:34 -87.915792 9.936731 BFGS: 30 18:04:34 -89.455471 10.604816 BFGS: 31 18:04:34 -91.029893 11.264105 BFGS: 32 18:04:34 -92.632278 11.912433 BFGS: 33 18:04:35 -94.257144 12.547282 BFGS: 34 18:04:35 -95.900029 13.166313 BFGS: 35 18:04:35 -97.557336 13.767869 BFGS: 36 18:04:35 -99.226323 14.351243 BFGS: 37 18:04:35 -100.905124 14.916688 BFGS: 38 18:04:35 -102.592688 15.465233 BFGS: 39 18:04:35 -104.288626 15.998441 BFGS: 40 18:04:35 -105.993009 16.518169 BFGS: 41 18:04:36 -107.706181 17.026375 BFGS: 42 18:04:36 -109.428598 17.524973 BFGS: 43 18:04:36 -111.160734 18.015739 BFGS: 44 18:04:36 -112.903025 18.500252 BFGS: 45 18:04:36 -114.655852 18.979877 BFGS: 46 18:04:36 -116.419548 19.455759 BFGS: 47 18:04:36 -118.194408 19.928847 BFGS: 48 18:04:36 -119.982433 20.399588 BFGS: 49 18:04:37 -121.891192 20.915216 BFGS: 50 18:04:37 -124.000529 21.510796 BFGS: 51 18:04:37 -126.179758 22.114794 BFGS: 52 18:04:37 -128.381163 22.602350 BFGS: 53 18:04:37 -130.515089 23.205934 BFGS: 54 18:04:37 -132.612286 23.739741 BFGS: 55 18:04:37 -134.698673 24.282545 BFGS: 56 18:04:37 -136.775142 24.804531 BFGS: 57 18:04:38 -138.838575 25.331065 BFGS: 58 18:04:38 -140.898932 25.825629 BFGS: 59 18:04:38 -142.924053 26.444477 BFGS: 60 18:04:38 -144.989931 26.940231 BFGS: 61 18:04:38 -147.057031 27.386624 BFGS: 62 18:04:38 -149.140126 27.893448 BFGS: 63 18:04:38 -151.229408 28.238334 BFGS: 64 18:04:38 -153.337923 28.953068 BFGS: 65 18:04:38 -155.465035 29.355138 BFGS: 66 18:04:39 -157.579354 29.785363 BFGS: 67 18:04:39 -159.756383 30.157586 BFGS: 68 18:04:39 -161.967474 30.449613 BFGS: 69 18:04:39 -164.114301 30.821213 BFGS: 70 18:04:39 -166.265633 31.207153 BFGS: 71 18:04:39 -168.427070 31.524348 BFGS: 72 18:04:39 -170.588137 31.910820 BFGS: 73 18:04:39 -172.729573 32.405283 BFGS: 74 18:04:40 -174.926316 32.152092 BFGS: 75 18:04:40 -177.051240 32.160150 BFGS: 76 18:04:40 -179.150739 32.164505 BFGS: 77 18:04:40 -181.225150 32.150239 BFGS: 78 18:04:40 -183.274774 32.113257 BFGS: 79 18:04:40 -185.300114 32.051567 BFGS: 80 18:04:40 -187.301921 31.963956 BFGS: 81 18:04:40 -189.281220 31.849095 BFGS: 82 18:04:40 -191.239277 31.705988 BFGS: 83 18:04:41 -193.177669 31.533086 BFGS: 84 18:04:41 -195.098282 31.329575 BFGS: 85 18:04:41 -197.003499 31.093410 BFGS: 86 18:04:41 -198.896083 30.824816 BFGS: 87 18:04:41 -200.765905 30.516197 BFGS: 88 18:04:41 -202.568453 30.140135 BFGS: 89 18:04:41 -204.333642 29.760767 BFGS: 90 18:04:41 -206.087627 29.329758 BFGS: 91 18:04:42 -207.838399 28.906535 BFGS: 92 18:04:42 -209.592691 28.447008 BFGS: 93 18:04:42 -211.287273 27.966166 BFGS: 94 18:04:42 -212.991563 27.258547 BFGS: 95 18:04:42 -214.630360 26.465998 BFGS: 96 18:04:42 -216.223499 25.745330 BFGS: 97 18:04:42 -217.763304 25.223368 BFGS: 98 18:04:42 -219.237422 25.170830 BFGS: 99 18:04:43 -220.709902 25.013383 BFGS: 100 18:04:43 -222.140851 24.797864 BFGS: 101 18:04:43 -223.569526 24.517472 BFGS: 102 18:04:43 -224.956702 24.223488 BFGS: 103 18:04:43 -226.145078 24.475193 BFGS: 104 18:04:43 -227.118218 24.718661 BFGS: 105 18:04:43 -228.015991 24.835689 BFGS: 106 18:04:43 -228.859867 24.799784 BFGS: 107 18:04:44 -229.666471 24.775776 BFGS: 108 18:04:44 -230.439994 24.607499 BFGS: 109 18:04:44 -231.190831 24.559952 BFGS: 110 18:04:44 -231.939361 24.349991 BFGS: 111 18:04:44 -232.618151 24.527628 BFGS: 112 18:04:44 -233.135416 26.349965 BFGS: 113 18:04:44 -233.918036 25.305501 BFGS: 114 18:04:44 -234.697266 24.826178 BFGS: 115 18:04:45 -235.474266 24.371705 BFGS: 116 18:04:45 -236.237121 24.033562 BFGS: 117 18:04:45 -236.984347 23.675776 BFGS: 118 18:04:45 -237.726990 23.342031 BFGS: 119 18:04:45 -238.469116 22.993670 BFGS: 120 18:04:45 -239.209920 22.695765 BFGS: 121 18:04:45 -239.948263 22.374747 BFGS: 122 18:04:45 -240.701130 22.097408 BFGS: 123 18:04:46 -241.466219 21.794715 BFGS: 124 18:04:46 -242.260928 21.537563 BFGS: 125 18:04:46 -243.082911 21.261131 BFGS: 126 18:04:46 -243.951924 21.028261 BFGS: 127 18:04:46 -244.867253 20.782528 BFGS: 128 18:04:46 -245.850912 20.572592 BFGS: 129 18:04:46 -246.905400 20.354117 BFGS: 130 18:04:46 -248.054887 20.157161 BFGS: 131 18:04:47 -249.306866 19.948340 BFGS: 132 18:04:47 -250.684007 19.736998 BFGS: 133 18:04:47 -252.173153 19.497446 BFGS: 134 18:04:47 -253.791140 19.218707 BFGS: 135 18:04:47 -255.549509 18.864870 BFGS: 136 18:04:47 -257.463652 18.398326 BFGS: 137 18:04:47 -259.543171 17.759811 BFGS: 138 18:04:47 -261.796957 17.282795 BFGS: 139 18:04:48 -264.229029 16.981547 BFGS: 140 18:04:48 -266.851015 16.311498 BFGS: 141 18:04:48 -269.752381 15.110338 BFGS: 142 18:04:48 -272.775737 13.283411 BFGS: 143 18:04:48 -275.718445 10.927955 BFGS: 144 18:04:48 -278.401279 13.173194 BFGS: 145 18:04:48 -280.706013 17.669772 BFGS: 146 18:04:48 -282.724635 20.202260 BFGS: 147 18:04:49 -284.565275 23.110406 BFGS: 148 18:04:49 -286.218770 27.984406 BFGS: 149 18:04:49 -287.736197 33.570381 BFGS: 150 18:04:49 -289.349662 38.657596 BFGS: 151 18:04:49 -291.184015 41.686514 BFGS: 152 18:04:49 -293.142949 43.590192 BFGS: 153 18:04:49 -295.173602 44.622781 BFGS: 154 18:04:49 -297.228130 45.193541 BFGS: 155 18:04:50 -299.290712 45.204559 BFGS: 156 18:04:50 -301.337968 44.841176 BFGS: 157 18:04:50 -303.372577 43.775040 BFGS: 158 18:04:50 -305.381908 42.046742 BFGS: 159 18:04:50 -307.373498 39.016330 BFGS: 160 18:04:50 -309.323012 34.496544 BFGS: 161 18:04:50 -311.185672 26.933173 BFGS: 162 18:04:50 -312.716981 14.898429 BFGS: 163 18:04:50 -313.538503 6.744885 BFGS: 164 18:04:51 -314.431693 5.468358 BFGS: 165 18:04:51 -314.801024 5.515256 BFGS: 166 18:04:51 -314.970857 6.184556 BFGS: 167 18:04:51 -315.115140 6.858217 BFGS: 168 18:04:51 -315.251351 7.308119 BFGS: 169 18:04:51 -315.383491 7.668840 BFGS: 170 18:04:51 -315.512792 7.974117 BFGS: 171 18:04:51 -315.639755 8.244776 BFGS: 172 18:04:52 -315.764542 8.491592 BFGS: 173 18:04:52 -315.887079 8.721127 BFGS: 174 18:04:52 -316.006762 8.937599 BFGS: 175 18:04:52 -316.124045 9.142893 BFGS: 176 18:04:52 -316.239419 9.337399 BFGS: 177 18:04:52 -316.353365 9.521018 BFGS: 178 18:04:52 -316.466343 9.693746 BFGS: 179 18:04:52 -316.578782 9.855813 BFGS: 180 18:04:52 -316.691075 10.007700 BFGS: 181 18:04:52 -316.803586 10.149766 BFGS: 182 18:04:53 -316.916662 10.282235 BFGS: 183 18:04:53 -317.030642 10.405348 BFGS: 184 18:04:53 -317.145856 10.519388 BFGS: 185 18:04:53 -317.262627 10.624623 BFGS: 186 18:04:53 -317.381273 10.721325 BFGS: 187 18:04:53 -317.502102 10.809773 BFGS: 188 18:04:53 -317.625420 10.890267 BFGS: 189 18:04:53 -317.751525 10.963071 BFGS: 190 18:04:53 -317.880709 11.028450 BFGS: 191 18:04:54 -318.013260 11.086691 BFGS: 192 18:04:54 -318.149459 11.138058 BFGS: 193 18:04:54 -318.289581 11.182798 BFGS: 194 18:04:54 -318.433895 11.221161 BFGS: 195 18:04:54 -318.582661 11.253416 BFGS: 196 18:04:54 -318.736132 11.279792 BFGS: 197 18:04:54 -318.894553 11.300518 BFGS: 198 18:04:55 -319.058158 11.315834 BFGS: 199 18:04:55 -319.227170 11.325978 BFGS: 200 18:04:55 -319.401798 11.331165 BFGS: 201 18:04:55 -319.582239 11.331612 BFGS: 202 18:04:55 -319.768670 11.327562 BFGS: 203 18:04:55 -319.961254 11.319232 BFGS: 204 18:04:55 -320.160133 11.306833 BFGS: 205 18:04:55 -320.365424 11.290583 BFGS: 206 18:04:55 -320.577223 11.270717 BFGS: 207 18:04:56 -320.795598 11.247444 BFGS: 208 18:04:56 -321.020589 11.220967 BFGS: 209 18:04:56 -321.252207 11.191496 BFGS: 210 18:04:56 -321.490430 11.159250 BFGS: 211 18:04:56 -321.735204 11.124409 BFGS: 212 18:04:56 -321.986442 11.087147 BFGS: 213 18:04:56 -322.244022 11.047629 BFGS: 214 18:04:56 -322.507790 11.006016 BFGS: 215 18:04:57 -322.777561 10.962414 BFGS: 216 18:04:57 -323.053119 10.916903 BFGS: 217 18:04:57 -323.334228 10.869532 BFGS: 218 18:04:57 -323.620632 10.820310 BFGS: 219 18:04:57 -323.912080 10.769139 BFGS: 220 18:04:57 -324.208364 10.715732 BFGS: 221 18:04:57 -324.509688 10.658683 BFGS: 222 18:04:57 -324.814817 10.600392 BFGS: 223 18:04:57 -325.123523 10.541841 BFGS: 224 18:04:58 -325.435577 10.482421 BFGS: 225 18:04:58 -325.750769 10.421765 BFGS: 226 18:04:58 -326.068892 10.359477 BFGS: 227 18:04:58 -326.389753 10.295242 BFGS: 228 18:04:58 -326.713164 10.228799 BFGS: 229 18:04:58 -327.038955 10.159987 BFGS: 230 18:04:58 -327.366964 10.088775 BFGS: 231 18:04:59 -327.697043 10.015267 BFGS: 232 18:04:59 -328.029061 9.939855 BFGS: 233 18:04:59 -328.362900 9.863203 BFGS: 234 18:04:59 -328.698455 9.786203 BFGS: 235 18:04:59 -329.035639 9.709964 BFGS: 236 18:04:59 -329.374379 9.635727 BFGS: 237 18:04:59 -329.714616 9.564825 BFGS: 238 18:04:59 -330.056307 9.498668 BFGS: 239 18:04:59 -330.399423 9.438675 BFGS: 240 18:05:00 -330.743951 9.386196 BFGS: 241 18:05:00 -331.089892 9.342403 BFGS: 242 18:05:00 -331.437265 9.308334 BFGS: 243 18:05:00 -331.786105 9.284866 BFGS: 244 18:05:00 -332.136464 9.272600 BFGS: 245 18:05:00 -332.488410 9.271886 BFGS: 246 18:05:00 -332.842028 9.282901 BFGS: 247 18:05:00 -333.197419 9.305630 BFGS: 248 18:05:01 -333.554699 9.339776 BFGS: 249 18:05:01 -333.913994 9.384956 BFGS: 250 18:05:01 -334.275440 9.440796 BFGS: 251 18:05:01 -334.639312 9.509441 BFGS: 252 18:05:01 -335.006262 9.580351 BFGS: 253 18:05:01 -335.377903 9.628382 BFGS: 254 18:05:01 -335.757090 9.648183 BFGS: 255 18:05:01 -336.147283 9.639025 BFGS: 256 18:05:02 -336.552185 9.614671 BFGS: 257 18:05:02 -336.975426 9.599842 BFGS: 258 18:05:02 -337.420167 9.629797 BFGS: 259 18:05:02 -337.889001 9.735469 BFGS: 260 18:05:02 -338.383912 9.933240 BFGS: 261 18:05:02 -338.906412 10.215168 BFGS: 262 18:05:03 -339.457483 10.558365 BFGS: 263 18:05:03 -340.037698 10.933766 BFGS: 264 18:05:03 -340.647240 11.317718 BFGS: 265 18:05:03 -341.286238 11.693508 BFGS: 266 18:05:03 -341.954844 12.051492 BFGS: 267 18:05:03 -342.653667 12.392611 BFGS: 268 18:05:03 -343.383503 12.705096 BFGS: 269 18:05:04 -344.146222 13.035742 BFGS: 270 18:05:04 -344.942439 13.241568 BFGS: 271 18:05:04 -345.778067 13.868162 BFGS: 272 18:05:04 -346.612164 13.627102 BFGS: 273 18:05:04 -347.482593 17.825666 BFGS: 274 18:05:04 -348.451674 17.754518 BFGS: 275 18:05:05 -349.461210 18.719008 BFGS: 276 18:05:05 -350.514604 18.792446 BFGS: 277 18:05:05 -351.630084 20.250261 BFGS: 278 18:05:05 -352.729921 15.109235 BFGS: 279 18:05:05 -353.910634 15.967606 BFGS: 280 18:05:05 -355.187158 16.179160 BFGS: 281 18:05:06 -356.520180 16.468808 BFGS: 282 18:05:06 -357.903691 16.719283 BFGS: 283 18:05:06 -359.341026 16.827504 BFGS: 284 18:05:06 -360.864678 17.665925 BFGS: 285 18:05:06 -362.564723 20.816210 BFGS: 286 18:05:06 -364.655996 26.411884 BFGS: 287 18:05:06 -367.722945 35.323389 BFGS: 288 18:05:06 -372.615101 42.153196 BFGS: 289 18:05:07 -377.333810 39.663461 BFGS: 290 18:05:07 -383.119324 46.766928 BFGS: 291 18:05:07 -387.110464 29.220539 BFGS: 292 18:05:07 -389.340216 32.510022 BFGS: 293 18:05:07 -391.516465 35.789869 BFGS: 294 18:05:07 -393.270698 39.885202 BFGS: 295 18:05:07 -394.976685 42.601919 BFGS: 296 18:05:07 -396.660314 45.117792 BFGS: 297 18:05:07 -398.367717 47.223848 BFGS: 298 18:05:08 -399.963825 49.044156 BFGS: 299 18:05:08 -401.475429 50.558880 BFGS: 300 18:05:08 -402.924861 51.915606 BFGS: 301 18:05:08 -404.328874 53.150927 BFGS: 302 18:05:08 -405.699572 54.318730 BFGS: 303 18:05:08 -407.046533 55.444360 BFGS: 304 18:05:08 -408.377478 56.552364 BFGS: 305 18:05:08 -409.699274 57.659850 BFGS: 306 18:05:09 -411.019640 58.777929 BFGS: 307 18:05:09 -412.335801 59.865764 BFGS: 308 18:05:09 -413.650013 60.949433 BFGS: 309 18:05:09 -414.968981 62.000591 BFGS: 310 18:05:09 -416.300186 63.026047 BFGS: 311 18:05:09 -417.652022 64.010405 BFGS: 312 18:05:09 -419.032402 64.947475 BFGS: 313 18:05:09 -420.448721 65.823430 BFGS: 314 18:05:10 -421.907493 66.625700 BFGS: 315 18:05:10 -423.414353 67.339661 BFGS: 316 18:05:10 -424.974024 67.951413 BFGS: 317 18:05:10 -426.590382 68.447975 BFGS: 318 18:05:10 -428.266515 68.818317 BFGS: 319 18:05:10 -430.004814 69.053859 BFGS: 320 18:05:10 -431.807058 69.148645 BFGS: 321 18:05:10 -433.674489 69.099249 BFGS: 322 18:05:11 -435.607870 68.904513 BFGS: 323 18:05:11 -437.607503 68.564992 BFGS: 324 18:05:11 -439.673232 68.082610 BFGS: 325 18:05:11 -441.804391 67.460053 BFGS: 326 18:05:11 -443.999740 66.700634 BFGS: 327 18:05:11 -446.257351 65.808027 BFGS: 328 18:05:11 -448.574495 64.786303 BFGS: 329 18:05:11 -450.947507 63.640262 BFGS: 330 18:05:11 -453.371657 62.375831 BFGS: 331 18:05:12 -456.021835 63.183822 BFGS: 332 18:05:12 -459.199092 60.032183 BFGS: 333 18:05:12 -462.342705 50.664163 BFGS: 334 18:05:12 -465.170843 55.316437 BFGS: 335 18:05:12 -468.024793 59.932760 BFGS: 336 18:05:12 -470.999808 61.304488 BFGS: 337 18:05:12 -473.989381 61.023776 BFGS: 338 18:05:12 -476.890198 59.819390 BFGS: 339 18:05:13 -479.709891 58.412330 BFGS: 340 18:05:13 -482.433221 56.724338 BFGS: 341 18:05:13 -485.051423 55.134990 BFGS: 342 18:05:13 -487.530810 53.045881 BFGS: 343 18:05:13 -489.780212 51.417907 BFGS: 344 18:05:13 -491.855166 48.443969 BFGS: 345 18:05:13 -493.601901 47.253113 BFGS: 346 18:05:14 -495.265079 44.049317 BFGS: 347 18:05:14 -496.675378 41.825809 BFGS: 348 18:05:14 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-677.539443 10.333463 BFGS: 4250 18:13:04 -677.537140 10.337285 BFGS: 4251 18:13:04 -677.534796 10.337686 BFGS: 4252 18:13:04 -677.532464 10.320557 BFGS: 4253 18:13:04 -677.530129 10.331257 BFGS: 4254 18:13:04 -677.527772 10.333582 BFGS: 4255 18:13:04 -677.525412 10.334041 BFGS: 4256 18:13:04 -677.523053 10.335718 BFGS: 4257 18:13:05 -677.520681 10.324099 BFGS: 4258 18:13:05 -677.518336 10.340202 BFGS: 4259 18:13:05 -677.515980 10.340191 BFGS: 4260 18:13:05 -677.513620 10.332435 BFGS: 4261 18:13:05 -677.511267 10.343702 BFGS: 4262 18:13:05 -677.508912 10.344497 BFGS: 4263 18:13:05 -677.506518 10.326781 BFGS: 4264 18:13:05 -677.504200 10.348037 BFGS: 4265 18:13:05 -677.501848 10.347897 BFGS: 4266 18:13:06 -677.499495 10.343070 BFGS: 4267 18:13:06 -677.497141 10.351014 BFGS: 4268 18:13:06 -677.494788 10.352515 BFGS: 4269 18:13:06 -677.492206 10.311479 BFGS: 4270 18:13:06 -677.490083 10.355841 BFGS: 4271 18:13:06 -677.487734 10.355141 BFGS: 4272 18:13:06 -677.485385 10.352389 BFGS: 4273 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-677.316765 10.438049 BFGS: 4345 18:13:14 -677.314564 10.392851 BFGS: 4346 18:13:15 -677.312273 10.419157 BFGS: 4347 18:13:15 -677.309959 10.423638 BFGS: 4348 18:13:15 -677.306798 10.614753 BFGS: 4349 18:13:15 -677.305319 10.475171 BFGS: 4350 18:13:15 -677.303054 10.434348 BFGS: 4351 18:13:15 -677.300757 10.429571 BFGS: 4352 18:13:15 -677.298417 10.338584 BFGS: 4353 18:13:15 -677.296213 10.399219 BFGS: 4354 18:13:15 -677.293933 10.404116 BFGS: 4355 18:13:16 -677.292045 10.382070 BFGS: 4356 18:13:16 -677.289850 10.413995 BFGS: 4357 18:13:16 -677.287630 10.464754 BFGS: 4358 18:13:16 -677.285345 10.479053 BFGS: 4359 18:13:16 -677.283062 10.479656 BFGS: 4360 18:13:16 -677.280760 10.474326 BFGS: 4361 18:13:16 -677.278455 10.452620 BFGS: 4362 18:13:16 -677.276153 10.471098 BFGS: 4363 18:13:16 -677.273850 10.473831 BFGS: 4364 18:13:16 -677.271527 10.455930 BFGS: 4365 18:13:17 -677.269249 10.477285 BFGS: 4366 18:13:17 -677.266951 10.477424 BFGS: 4367 18:13:17 -677.264649 10.470874 BFGS: 4368 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-676.273376 10.997475 BFGS: 4820 18:14:09 -676.271270 10.997687 BFGS: 4821 18:14:09 -676.269100 10.967690 BFGS: 4822 18:14:09 -676.267062 10.996654 BFGS: 4823 18:14:10 -676.264960 10.995074 BFGS: 4824 18:14:10 -676.262856 10.981586 BFGS: 4825 18:14:10 -676.260757 10.993088 BFGS: 4826 18:14:10 -676.258654 10.992991 BFGS: 4827 18:14:10 -676.256030 10.903793 BFGS: 4828 18:14:10 -676.254448 10.994093 BFGS: 4829 18:14:10 -676.252348 10.991539 BFGS: 4830 18:14:10 -676.250248 10.987087 BFGS: 4831 18:14:10 -676.248145 10.992167 BFGS: 4832 18:14:11 -676.246043 10.994442 BFGS: 4833 18:14:11 -676.243943 10.993279 BFGS: 4834 18:14:11 -676.241824 10.972154 BFGS: 4835 18:14:11 -676.239743 10.994428 BFGS: 4836 18:14:11 -676.237645 10.993468 BFGS: 4837 18:14:11 -676.235544 10.983770 BFGS: 4838 18:14:11 -676.233448 10.995218 BFGS: 4839 18:14:11 -676.231350 10.995305 BFGS: 4840 18:14:12 -676.229200 10.968659 BFGS: 4841 18:14:12 -676.227154 10.997481 BFGS: 4842 18:14:12 -676.225059 10.996038 BFGS: 4843 18:14:12 -676.222963 10.990495 BFGS: 4844 18:14:12 -676.220866 10.997328 BFGS: 4845 18:14:12 -676.218770 10.998322 BFGS: 4846 18:14:12 -676.216665 10.981460 BFGS: 4847 18:14:12 -676.214579 10.998846 BFGS: 4848 18:14:12 -676.212486 10.997890 BFGS: 4849 18:14:13 -676.210388 10.986185 BFGS: 4850 18:14:13 -676.208297 10.999473 BFGS: 4851 18:14:13 -676.206204 10.999018 BFGS: 4852 18:14:13 -676.204097 10.982087 BFGS: 4853 18:14:13 -676.202018 11.000814 BFGS: 4854 18:14:13 -676.199927 10.999798 BFGS: 4855 18:14:13 -676.197834 10.991240 BFGS: 4856 18:14:13 -676.195743 11.001350 BFGS: 4857 18:14:14 -676.193653 11.001409 BFGS: 4858 18:14:14 -676.191405 10.956233 BFGS: 4859 18:14:14 -676.189471 11.003381 BFGS: 4860 18:14:14 -676.187383 11.001414 BFGS: 4861 18:14:14 -676.185294 10.996888 BFGS: 4862 18:14:14 -676.183204 11.002438 BFGS: 4863 18:14:14 -676.181114 11.004035 BFGS: 4864 18:14:14 -676.179028 10.998676 BFGS: 4865 18:14:14 -676.176940 11.001670 BFGS: 4866 18:14:15 -676.174851 11.005413 BFGS: 4867 18:14:15 -676.172760 11.008540 BFGS: 4868 18:14:15 -676.170670 11.010897 BFGS: 4869 18:14:15 -676.168578 11.013244 BFGS: 4870 18:14:15 -676.166469 10.992739 BFGS: 4871 18:14:15 -676.164391 11.016108 BFGS: 4872 18:14:15 -676.162297 11.018421 BFGS: 4873 18:14:15 -676.160238 11.016348 BFGS: 4874 18:14:15 -676.158164 11.005450 BFGS: 4875 18:14:16 -676.156079 11.008080 BFGS: 4876 18:14:16 -676.153987 10.993550 BFGS: 4877 18:14:16 -676.151908 11.009030 BFGS: 4878 18:14:16 -676.149822 11.012165 BFGS: 4879 18:14:16 -676.147745 11.006404 BFGS: 4880 18:14:16 -676.145665 11.004684 BFGS: 4881 18:14:16 -676.143584 11.004533 BFGS: 4882 18:14:16 -676.141503 11.006681 BFGS: 4883 18:14:16 -676.139421 11.008668 BFGS: 4884 18:14:17 -676.137340 11.009385 BFGS: 4885 18:14:17 -676.135258 11.012250 BFGS: 4886 18:14:17 -676.131629 10.910757 BFGS: 4887 18:14:17 -676.131093 11.015384 BFGS: 4888 18:14:17 -676.129010 11.017104 BFGS: 4889 18:14:17 -676.126910 11.000371 BFGS: 4890 18:14:17 -676.124841 11.018157 BFGS: 4891 18:14:17 -676.122759 11.016522 BFGS: 4892 18:14:18 -676.120676 10.998460 BFGS: 4893 18:14:18 -676.118601 11.012241 BFGS: 4894 18:14:18 -676.116522 11.014230 BFGS: 4895 18:14:18 -676.114472 11.003269 BFGS: 4896 18:14:18 -676.112404 11.009367 BFGS: 4897 18:14:18 -676.110329 11.011018 BFGS: 4898 18:14:18 -676.108254 11.010248 BFGS: 4899 18:14:18 -676.106178 11.014249 BFGS: 4900 18:14:18 -676.104102 11.015470 BFGS: 4901 18:14:19 -676.102029 11.009204 BFGS: 4902 18:14:19 -676.099956 11.012422 BFGS: 4903 18:14:19 -676.097795 10.998880 BFGS: 4904 18:14:19 -676.095808 11.017056 BFGS: 4905 18:14:19 -676.093737 11.016990 BFGS: 4906 18:14:19 -676.091664 11.009342 BFGS: 4907 18:14:19 -676.089593 11.017450 BFGS: 4908 18:14:19 -676.087522 11.017644 BFGS: 4909 18:14:19 -676.076021 13.033437 BFGS: 4910 18:14:20 -676.083379 11.019367 BFGS: 4911 18:14:20 -676.081311 11.016759 BFGS: 4912 18:14:20 -676.079242 11.012294 BFGS: 4913 18:14:20 -676.077172 11.017241 BFGS: 4914 18:14:20 -676.075102 11.019184 BFGS: 4915 18:14:20 -676.073034 11.016560 BFGS: 4916 18:14:20 -676.070966 11.011045 BFGS: 4917 18:14:20 -676.068898 11.017996 BFGS: 4918 18:14:21 -676.066829 11.019893 BFGS: 4919 18:14:21 -676.064764 11.012762 BFGS: 4920 18:14:21 -676.062697 11.018563 BFGS: 4921 18:14:21 -676.060630 11.021971 BFGS: 4922 18:14:21 -676.058563 11.023013 BFGS: 4923 18:14:21 -676.056490 11.006731 BFGS: 4924 18:14:21 -676.054431 11.022136 BFGS: 4925 18:14:21 -676.052366 11.022964 BFGS: 4926 18:14:22 -676.049947 10.948779 BFGS: 4927 18:14:22 -676.048239 11.023279 BFGS: 4928 18:14:22 -676.046177 11.021183 BFGS: 4929 18:14:22 -676.044115 11.017110 BFGS: 4930 18:14:22 -676.042051 11.022146 BFGS: 4931 18:14:22 -676.039987 11.023976 BFGS: 4932 18:14:22 -676.037926 11.020316 BFGS: 4933 18:14:22 -676.035866 11.018352 BFGS: 4934 18:14:22 -676.033804 11.021900 BFGS: 4935 18:14:23 -674.897588 30.056430 BFGS: 4936 18:14:23 -676.029677 11.029005 BFGS: 4937 18:14:23 -676.027613 11.032876 BFGS: 4938 18:14:23 -676.025548 11.036593 BFGS: 4939 18:14:23 -676.023482 11.040032 BFGS: 4940 18:14:23 -676.021403 11.046475 BFGS: 4941 18:14:23 -676.019347 11.046654 BFGS: 4942 18:14:23 -676.017279 11.050288 BFGS: 4943 18:14:24 -676.015210 11.054251 BFGS: 4944 18:14:24 -676.013139 11.057120 BFGS: 4945 18:14:24 -676.011068 11.060467 BFGS: 4946 18:14:24 -676.008997 11.066059 BFGS: 4947 18:14:24 -676.006924 11.067390 BFGS: 4948 18:14:24 -676.004851 11.070716 BFGS: 4949 18:14:24 -676.002612 11.083264 BFGS: 4950 18:14:24 -676.000702 11.077390 BFGS: 4951 18:14:24 -675.998627 11.081001 BFGS: 4952 18:14:25 -675.996551 11.084722 BFGS: 4953 18:14:25 -675.994474 11.087734 BFGS: 4954 18:14:25 -675.992396 11.090884 BFGS: 4955 18:14:25 -675.990317 11.095144 BFGS: 4956 18:14:25 -675.987706 11.155158 BFGS: 4957 18:14:25 -675.986159 11.103220 BFGS: 4958 18:14:25 -675.984079 11.107505 BFGS: 4959 18:14:25 -675.981999 11.112881 BFGS: 4960 18:14:26 -675.979918 11.114201 BFGS: 4961 18:14:26 -675.977836 11.115764 BFGS: 4962 18:14:26 -675.975743 11.106173 BFGS: 4963 18:14:26 -675.973672 11.118285 BFGS: 4964 18:14:26 -675.971588 11.120881 BFGS: 4965 18:14:26 -675.969286 11.115029 BFGS: 4966 18:14:26 -675.967419 11.127042 BFGS: 4967 18:14:26 -675.965335 11.130262 BFGS: 4968 18:14:26 -675.963250 11.134269 BFGS: 4969 18:14:27 -675.961164 11.137578 BFGS: 4970 18:14:27 -675.959078 11.141756 BFGS: 4971 18:14:27 -675.956997 11.163410 BFGS: 4972 18:14:27 -675.954925 11.157818 BFGS: 4973 18:14:27 -675.952854 11.154543 BFGS: 4974 18:14:27 -675.950867 11.126491 BFGS: 4975 18:14:27 -675.948909 11.099740 BFGS: 4976 18:14:27 -675.947096 11.046366 BFGS: 4977 18:14:27 -675.945192 11.030766 BFGS: 4978 18:14:28 -675.943204 11.040145 BFGS: 4979 18:14:28 -675.941155 11.049385 BFGS: 4980 18:14:28 -675.939104 11.052333 BFGS: 4981 18:14:28 -675.937041 11.048183 BFGS: 4982 18:14:28 -675.935001 11.056453 BFGS: 4983 18:14:28 -675.932952 11.056537 BFGS: 4984 18:14:28 -675.930889 11.039324 BFGS: 4985 18:14:28 -675.928855 11.056057 BFGS: 4986 18:14:28 -675.926807 11.054816 BFGS: 4987 18:14:29 -675.924757 11.043891 BFGS: 4988 18:14:29 -675.922711 11.055436 BFGS: 4989 18:14:29 -675.920664 11.054965 BFGS: 4990 18:14:29 -675.918585 11.031033 BFGS: 4991 18:14:29 -675.916569 11.056548 BFGS: 4992 18:14:29 -675.914524 11.055001 BFGS: 4993 18:14:29 -675.912478 11.048664 BFGS: 4994 18:14:29 -675.910432 11.056210 BFGS: 4995 18:14:29 -675.908386 11.056836 BFGS: 4996 18:14:29 -675.906279 11.025080 BFGS: 4997 18:14:30 -675.904296 11.058074 BFGS: 4998 18:14:30 -675.902253 11.056299 BFGS: 4999 18:14:30 -675.900210 11.050896 BFGS: 5000 18:14:30 -675.898165 11.057397 BFGS: 5001 18:14:30 -675.896122 11.058417 BFGS: 5002 18:14:30 -675.894076 11.046425 BFGS: 5003 18:14:30 -675.892036 11.058626 BFGS: 5004 18:14:30 -675.889995 11.058255 BFGS: 5005 18:14:30 -675.887919 11.034052 BFGS: 5006 18:14:31 -675.885911 11.059939 BFGS: 5007 18:14:31 -675.883871 11.058452 BFGS: 5008 18:14:31 -675.881831 11.052280 BFGS: 5009 18:14:31 -675.879790 11.059710 BFGS: 5010 18:14:31 -675.877749 11.060393 BFGS: 5011 18:14:31 -675.875660 11.031680 BFGS: 5012 18:14:31 -675.873670 11.061647 BFGS: 5013 18:14:31 -675.871633 11.059986 BFGS: 5014 18:14:31 -675.869595 11.054351 BFGS: 5015 18:14:32 -675.867555 11.061115 BFGS: 5016 18:14:32 -675.865517 11.062000 BFGS: 5017 18:14:32 -675.863471 11.046454 BFGS: 5018 18:14:32 -675.861442 11.062591 BFGS: 5019 18:14:32 -675.859406 11.061683 BFGS: 5020 18:14:32 -675.857366 11.050448 BFGS: 5021 18:14:32 -675.855333 11.063115 BFGS: 5022 18:14:32 -675.853298 11.062604 BFGS: 5023 18:14:32 -675.851250 11.046327 BFGS: 5024 18:14:32 -675.849227 11.064184 BFGS: 5025 18:14:33 -675.847194 11.063129 BFGS: 5026 18:14:33 -675.845158 11.054606 BFGS: 5027 18:14:33 -675.843125 11.064499 BFGS: 5028 18:14:33 -675.841092 11.064456 BFGS: 5029 18:14:33 -675.838944 11.024817 BFGS: 5030 18:14:33 -675.837024 11.066230 BFGS: 5031 18:14:33 -675.834994 11.064324 BFGS: 5032 18:14:33 -675.832962 11.059730 BFGS: 5033 18:14:34 -675.830930 11.065253 BFGS: 5034 18:14:34 -675.828897 11.066634 BFGS: 5035 18:14:34 -675.826868 11.060942 BFGS: 5036 18:14:34 -675.824837 11.065027 BFGS: 5037 18:14:34 -675.822805 11.067333 BFGS: 5038 18:14:34 -675.820774 11.068146 BFGS: 5039 18:14:34 -675.818740 11.052425 BFGS: 5040 18:14:34 -675.816716 11.066591 BFGS: 5041 18:14:34 -675.814687 11.066258 BFGS: 5042 18:14:35 -675.812616 11.040036 BFGS: 5043 18:14:35 -675.810630 11.068109 BFGS: 5044 18:14:35 -675.808604 11.066830 BFGS: 5045 18:14:35 -675.806577 11.061399 BFGS: 5046 18:14:35 -675.804549 11.068293 BFGS: 5047 18:14:35 -675.802522 11.069153 BFGS: 5048 18:14:35 -675.800473 11.048301 BFGS: 5049 18:14:35 -675.798468 11.070096 BFGS: 5050 18:14:35 -675.796444 11.068729 BFGS: 5051 18:14:36 -675.794418 11.061514 BFGS: 5052 18:14:36 -675.792393 11.069979 BFGS: 5053 18:14:36 -675.790368 11.070285 BFGS: 5054 18:14:36 -675.784139 12.109466 BFGS: 5055 18:14:36 -675.786318 11.072348 BFGS: 5056 18:14:36 -675.784297 11.069969 BFGS: 5057 18:14:36 -675.782275 11.066109 BFGS: 5058 18:14:36 -675.780251 11.070525 BFGS: 5059 18:14:36 -675.778227 11.072545 BFGS: 5060 18:14:37 -675.776205 11.071660 BFGS: 5061 18:14:37 -675.774174 11.054741 BFGS: 5062 18:14:37 -675.772161 11.072239 BFGS: 5063 18:14:37 -675.770140 11.071276 BFGS: 5064 18:14:37 -675.768114 11.058282 BFGS: 5065 18:14:37 -675.766099 11.072563 BFGS: 5066 18:14:37 -675.764079 11.072051 BFGS: 5067 18:14:37 -675.762050 11.057458 BFGS: 5068 18:14:37 -675.760040 11.073655 BFGS: 5069 18:14:38 -675.758022 11.072887 BFGS: 5070 18:14:38 -675.756001 11.063612 BFGS: 5071 18:14:38 -675.753984 11.074440 BFGS: 5072 18:14:38 -675.751966 11.074250 BFGS: 5073 18:14:38 -675.749920 11.052860 BFGS: 5074 18:14:38 -675.747930 11.075950 BFGS: 5075 18:14:38 -675.745915 11.074581 BFGS: 5076 18:14:38 -675.743898 11.068256 BFGS: 5077 18:14:38 -675.741881 11.075698 BFGS: 5078 18:14:39 -675.739865 11.076234 BFGS: 5079 18:14:39 -675.737760 11.039513 BFGS: 5080 18:14:39 -675.735834 11.077443 BFGS: 5081 18:14:39 -675.733820 11.075507 BFGS: 5082 18:14:39 -675.731807 11.070570 BFGS: 5083 18:14:39 -675.729791 11.076397 BFGS: 5084 18:14:39 -675.727777 11.077600 BFGS: 5085 18:14:39 -675.725765 11.070535 BFGS: 5086 18:14:39 -675.723751 11.076680 BFGS: 5087 18:14:40 -675.721737 11.077778 BFGS: 5088 18:14:40 -675.719726 11.070791 BFGS: 5089 18:14:40 -675.717713 11.077065 BFGS: 5090 18:14:40 -675.715701 11.078211 BFGS: 5091 18:14:40 -675.713691 11.071340 BFGS: 5092 18:14:40 -675.711679 11.077504 BFGS: 5093 18:14:40 -675.709668 11.078810 BFGS: 5094 18:14:40 -675.707659 11.072813 BFGS: 5095 18:14:41 -675.705649 11.077826 BFGS: 5096 18:14:41 -675.703638 11.079756 BFGS: 5097 18:14:41 -675.701629 11.078030 BFGS: 5098 18:14:41 -675.699621 11.069576 BFGS: 5099 18:14:41 -675.697612 11.079286 BFGS: 5100 18:14:41 -675.695604 11.080104 BFGS: 5101 18:14:41 -675.693153 11.003260 BFGS: 5102 18:14:41 -675.691587 11.082247 BFGS: 5103 18:14:41 -675.689582 11.080049 BFGS: 5104 18:14:41 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18:16:52 -673.106333 12.486321 BFGS: 6554 18:16:52 -673.104723 12.536569 BFGS: 6555 18:16:52 -673.103112 12.504685 BFGS: 6556 18:16:52 -673.101500 12.500654 BFGS: 6557 18:16:52 -673.099890 12.536560 BFGS: 6558 18:16:52 -673.098278 12.506809 BFGS: 6559 18:16:52 -673.096667 12.502484 BFGS: 6560 18:16:52 -673.095058 12.535900 BFGS: 6561 18:16:52 -673.093447 12.509740 BFGS: 6562 18:16:52 -673.091836 12.503894 BFGS: 6563 18:16:52 -673.090228 12.521224 BFGS: 6564 18:16:52 -673.088618 12.521948 BFGS: 6565 18:16:52 -673.086522 13.047064 BFGS: 6566 18:16:52 -673.085398 12.502312 BFGS: 6567 18:16:53 -673.083789 12.515500 BFGS: 6568 18:16:53 -673.082181 12.534999 BFGS: 6569 18:16:53 -673.080572 12.515328 BFGS: 6570 18:16:53 -673.078962 12.506324 BFGS: 6571 18:16:53 -673.077354 12.506517 BFGS: 6572 18:16:53 -673.074840 13.255912 BFGS: 6573 18:16:53 -673.074137 12.505812 BFGS: 6574 18:16:53 -673.072530 12.520050 BFGS: 6575 18:16:53 -673.070923 12.540284 BFGS: 6576 18:16:53 -673.069315 12.521101 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18:16:59 -672.953923 12.957910 BFGS: 6649 18:16:59 -672.952514 12.603531 BFGS: 6650 18:16:59 -672.950923 12.617051 BFGS: 6651 18:16:59 -672.949331 12.639585 BFGS: 6652 18:16:59 -672.947738 12.617852 BFGS: 6653 18:16:59 -672.946145 12.610763 BFGS: 6654 18:16:59 -672.944554 12.617842 BFGS: 6655 18:16:59 -672.942961 12.676307 BFGS: 6656 18:16:59 -672.941371 12.616579 BFGS: 6657 18:16:59 -672.939780 12.621373 BFGS: 6658 18:16:59 -672.938181 12.713643 BFGS: 6659 18:16:59 -672.936597 12.618370 BFGS: 6660 18:16:59 -672.935007 12.626876 BFGS: 6661 18:17:00 -672.933416 12.669765 BFGS: 6662 18:17:00 -672.931826 12.625317 BFGS: 6663 18:17:00 -672.930236 12.627208 BFGS: 6664 18:17:00 -672.928317 13.086531 BFGS: 6665 18:17:00 -672.927056 12.622547 BFGS: 6666 18:17:00 -672.925468 12.636493 BFGS: 6667 18:17:00 -672.923879 12.657592 BFGS: 6668 18:17:00 -672.922289 12.637568 BFGS: 6669 18:17:00 -672.920700 12.629517 BFGS: 6670 18:17:00 -672.919111 12.631943 BFGS: 6671 18:17:00 -672.917360 12.965278 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18:17:13 -672.654971 12.861439 BFGS: 6839 18:17:13 -672.653415 12.855269 BFGS: 6840 18:17:13 -672.651859 12.853420 BFGS: 6841 18:17:13 -672.650302 12.893499 BFGS: 6842 18:17:13 -672.648747 12.847683 BFGS: 6843 18:17:13 -672.647192 12.850683 BFGS: 6844 18:17:13 -672.645600 13.016747 BFGS: 6845 18:17:13 -672.644081 12.847577 BFGS: 6846 18:17:13 -672.642527 12.858599 BFGS: 6847 18:17:13 -672.640973 12.884826 BFGS: 6848 18:17:14 -672.639418 12.858283 BFGS: 6849 18:17:14 -672.637864 12.854806 BFGS: 6850 18:17:14 -672.636311 12.890534 BFGS: 6851 18:17:14 -672.634756 12.862016 BFGS: 6852 18:17:14 -672.633202 12.858988 BFGS: 6853 18:17:14 -672.631649 12.899582 BFGS: 6854 18:17:14 -672.630096 12.864254 BFGS: 6855 18:17:14 -672.628543 12.863727 BFGS: 6856 18:17:14 -672.626966 13.004156 BFGS: 6857 18:17:14 -672.625437 12.861984 BFGS: 6858 18:17:14 -672.623885 12.872401 BFGS: 6859 18:17:14 -672.622333 12.901571 BFGS: 6860 18:17:14 -672.620781 12.871925 BFGS: 6861 18:17:15 -672.619228 12.869904 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18:17:41 -672.076916 13.379664 BFGS: 7219 18:17:41 -672.075433 13.309810 BFGS: 7220 18:17:41 -672.073946 13.315797 BFGS: 7221 18:17:41 -672.072458 13.366189 BFGS: 7222 18:17:41 -672.070973 13.313905 BFGS: 7223 18:17:42 -672.069487 13.318327 BFGS: 7224 18:17:42 -672.067995 13.394809 BFGS: 7225 18:17:42 -672.066514 13.316207 BFGS: 7226 18:17:42 -672.065029 13.323418 BFGS: 7227 18:17:42 -672.063543 13.362960 BFGS: 7228 18:17:42 -672.062057 13.322358 BFGS: 7229 18:17:42 -672.060572 13.324639 BFGS: 7230 18:17:42 -672.059007 13.549820 BFGS: 7231 18:17:42 -672.057602 13.321424 BFGS: 7232 18:17:42 -672.056118 13.332738 BFGS: 7233 18:17:42 -672.054634 13.353584 BFGS: 7234 18:17:42 -672.053149 13.333514 BFGS: 7235 18:17:42 -672.051664 13.328403 BFGS: 7236 18:17:43 -672.050181 13.341378 BFGS: 7237 18:17:43 -672.048697 13.355887 BFGS: 7238 18:17:43 -672.047213 13.340827 BFGS: 7239 18:17:43 -672.045729 13.331642 BFGS: 7240 18:17:43 -672.044245 13.327122 BFGS: 7241 18:17:43 -672.042763 13.350700 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13.371603 BFGS: 7266 18:17:45 -672.005742 13.370406 BFGS: 7267 18:17:45 -672.004258 13.452732 BFGS: 7268 18:17:45 -672.002785 13.371602 BFGS: 7269 18:17:45 -672.001307 13.378568 BFGS: 7270 18:17:45 -671.999829 13.419079 BFGS: 7271 18:17:45 -671.998351 13.377363 BFGS: 7272 18:17:45 -671.996874 13.379878 BFGS: 7273 18:17:45 -671.995345 13.562470 BFGS: 7274 18:17:45 -671.993918 13.377068 BFGS: 7275 18:17:45 -671.992442 13.387791 BFGS: 7276 18:17:46 -671.990965 13.410341 BFGS: 7277 18:17:46 -671.989488 13.388609 BFGS: 7278 18:17:46 -671.988011 13.384435 BFGS: 7279 18:17:46 -671.986535 13.404375 BFGS: 7280 18:17:46 -671.985059 13.400757 BFGS: 7281 18:17:46 -671.983583 13.410154 BFGS: 7282 18:17:46 -671.982107 13.403152 BFGS: 7283 18:17:46 -671.980631 13.398463 BFGS: 7284 18:17:46 -671.979156 13.409507 BFGS: 7285 18:17:46 -671.977682 13.420369 BFGS: 7286 18:17:46 -671.976206 13.409599 BFGS: 7287 18:17:46 -671.974732 13.387823 BFGS: 7288 18:17:46 -671.973258 13.375710 BFGS: 7289 18:17:47 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18:17:48 -672.975442 13.995696 BFGS: 7314 18:17:48 -673.009191 14.631785 BFGS: 7315 18:17:48 -673.087758 15.281728 BFGS: 7316 18:17:49 -673.194586 15.159394 BFGS: 7317 18:17:49 -673.301307 12.647020 BFGS: 7318 18:17:49 -673.312382 11.382466 BFGS: 7319 18:17:49 -673.311484 11.334210 BFGS: 7320 18:17:49 -673.310193 11.376399 BFGS: 7321 18:17:49 -673.308892 11.388799 BFGS: 7322 18:17:49 -673.307589 11.412537 BFGS: 7323 18:17:49 -673.306285 11.399947 BFGS: 7324 18:17:49 -673.304980 11.394427 BFGS: 7325 18:17:49 -673.303678 11.391257 BFGS: 7326 18:17:49 -673.302361 11.424124 BFGS: 7327 18:17:49 -673.301078 11.394993 BFGS: 7328 18:17:49 -673.299778 11.397211 BFGS: 7329 18:17:50 -673.298441 11.480148 BFGS: 7330 18:17:50 -673.297179 11.407516 BFGS: 7331 18:17:50 -673.295880 11.411817 BFGS: 7332 18:17:50 -673.294580 11.432436 BFGS: 7333 18:17:50 -673.293280 11.413735 BFGS: 7334 18:17:50 -673.291981 11.412250 BFGS: 7335 18:17:50 -673.290669 11.458980 BFGS: 7336 18:17:50 -673.289387 11.416989 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5.923427 BFGS: 7410 18:17:57 -673.943318 5.887523 BFGS: 7411 18:17:57 -673.942019 5.888809 BFGS: 7412 18:17:57 -673.940718 5.914023 BFGS: 7413 18:17:57 -673.939422 5.886701 BFGS: 7414 18:17:57 -673.938123 5.887308 BFGS: 7415 18:17:57 -673.936812 5.934227 BFGS: 7416 18:17:57 -673.935526 5.884097 BFGS: 7417 18:17:57 -673.934229 5.886940 BFGS: 7418 18:17:57 -673.932931 5.902507 BFGS: 7419 18:17:57 -673.931633 5.883960 BFGS: 7420 18:17:57 -673.930335 5.882816 BFGS: 7421 18:17:58 -673.928767 6.058680 BFGS: 7422 18:17:58 -673.927740 5.878527 BFGS: 7423 18:17:58 -673.926444 5.883119 BFGS: 7424 18:17:58 -673.925147 5.890991 BFGS: 7425 18:17:58 -673.923850 5.880758 BFGS: 7426 18:17:58 -673.922552 5.875854 BFGS: 7427 18:17:58 -673.921256 5.875485 BFGS: 7428 18:17:58 -673.919955 5.900727 BFGS: 7429 18:17:58 -673.918662 5.871509 BFGS: 7430 18:17:58 -673.917366 5.871960 BFGS: 7431 18:17:58 -673.916065 5.903466 BFGS: 7432 18:17:59 -673.914774 5.868898 BFGS: 7433 18:17:59 -673.913479 5.870345 BFGS: 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18:19:17 -672.678414 3.592039 BFGS: 8554 18:19:17 -672.677146 3.604197 BFGS: 8555 18:19:17 -672.675868 3.600570 BFGS: 8556 18:19:17 -672.674589 3.591279 BFGS: 8557 18:19:17 -672.673309 3.597669 BFGS: 8558 18:19:18 -672.672028 3.572278 BFGS: 8559 18:19:18 -672.670751 3.608510 BFGS: 8560 18:19:18 -672.669473 3.606045 BFGS: 8561 18:19:18 -672.668195 3.566657 BFGS: 8562 18:19:18 -672.666918 3.603027 BFGS: 8563 18:19:18 -672.665639 3.609255 BFGS: 8564 18:19:18 -672.664275 3.469375 BFGS: 8565 18:19:18 -672.663083 3.616906 BFGS: 8566 18:19:18 -672.661805 3.617857 BFGS: 8567 18:19:18 -672.660527 3.608005 BFGS: 8568 18:19:18 -672.659249 3.624398 BFGS: 8569 18:19:18 -672.657970 3.631210 BFGS: 8570 18:19:18 -672.656691 3.605471 BFGS: 8571 18:19:18 -672.655414 3.635912 BFGS: 8572 18:19:19 -672.654137 3.637329 BFGS: 8573 18:19:19 -672.652829 3.506188 BFGS: 8574 18:19:19 -672.651583 3.633406 BFGS: 8575 18:19:19 -672.650306 3.632003 BFGS: 8576 18:19:19 -672.649030 3.606419 BFGS: 8577 18:19:19 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3.637492 BFGS: 8602 18:19:21 -672.616126 3.645472 BFGS: 8603 18:19:21 -672.614844 3.627807 BFGS: 8604 18:19:21 -672.613570 3.653860 BFGS: 8605 18:19:21 -672.612291 3.657745 BFGS: 8606 18:19:21 -672.610662 3.280550 BFGS: 8607 18:19:21 -672.609739 3.640064 BFGS: 8608 18:19:21 -672.608462 3.633761 BFGS: 8609 18:19:21 -672.607185 3.622757 BFGS: 8610 18:19:21 -672.605907 3.636557 BFGS: 8611 18:19:21 -672.604629 3.644398 BFGS: 8612 18:19:21 -672.603351 3.647773 BFGS: 8613 18:19:21 -672.602046 3.544718 BFGS: 8614 18:19:21 -672.600796 3.655316 BFGS: 8615 18:19:21 -672.599518 3.653307 BFGS: 8616 18:19:21 -672.598241 3.637735 BFGS: 8617 18:19:22 -672.596964 3.659226 BFGS: 8618 18:19:22 -672.595686 3.664459 BFGS: 8619 18:19:22 -672.594408 3.630490 BFGS: 8620 18:19:22 -672.593132 3.671275 BFGS: 8621 18:19:22 -672.591855 3.672220 BFGS: 8622 18:19:22 -672.590576 3.642510 BFGS: 8623 18:19:22 -672.589300 3.681372 BFGS: 8624 18:19:22 -672.588024 3.682149 BFGS: 8625 18:19:22 -672.586746 3.654772 BFGS: 8626 18:19:22 -672.585470 3.690953 BFGS: 8627 18:19:22 -672.584193 3.691943 BFGS: 8628 18:19:22 -672.582914 3.659552 BFGS: 8629 18:19:22 -672.581639 3.700750 BFGS: 8630 18:19:22 -672.580363 3.701129 BFGS: 8631 18:19:23 -672.579085 3.676477 BFGS: 8632 18:19:23 -672.577809 3.709712 BFGS: 8633 18:19:23 -672.576533 3.711107 BFGS: 8634 18:19:23 -672.575253 3.669464 BFGS: 8635 18:19:23 -672.573980 3.720088 BFGS: 8636 18:19:23 -672.572704 3.719665 BFGS: 8637 18:19:23 -672.571427 3.701970 BFGS: 8638 18:19:23 -672.570151 3.727949 BFGS: 8639 18:19:23 -672.568875 3.730745 BFGS: 8640 18:19:23 -672.567476 3.523313 BFGS: 8641 18:19:23 -672.566322 3.740430 BFGS: 8642 18:19:23 -672.565047 3.737266 BFGS: 8643 18:19:23 -672.563771 3.730634 BFGS: 8644 18:19:23 -672.562495 3.744193 BFGS: 8645 18:19:23 -672.561219 3.752086 BFGS: 8646 18:19:23 -672.559943 3.753787 BFGS: 8647 18:19:24 -672.558664 3.712906 BFGS: 8648 18:19:24 -672.557391 3.761084 BFGS: 8649 18:19:24 -672.556116 3.761413 BFGS: 8650 18:19:24 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3.820656 BFGS: 8675 18:19:25 -672.522969 3.843384 BFGS: 8676 18:19:25 -672.521695 3.847027 BFGS: 8677 18:19:26 -672.520349 3.685255 BFGS: 8678 18:19:26 -672.519147 3.856062 BFGS: 8679 18:19:26 -672.517873 3.853182 BFGS: 8680 18:19:26 -672.516599 3.846172 BFGS: 8681 18:19:26 -672.515325 3.860280 BFGS: 8682 18:19:26 -672.514051 3.867634 BFGS: 8683 18:19:26 -672.512778 3.867064 BFGS: 8684 18:19:26 -672.511504 3.850798 BFGS: 8685 18:19:26 -672.510230 3.874552 BFGS: 8686 18:19:26 -672.508957 3.878294 BFGS: 8687 18:19:26 -672.507654 3.770227 BFGS: 8688 18:19:26 -672.506409 3.886164 BFGS: 8689 18:19:26 -672.505136 3.883975 BFGS: 8690 18:19:26 -672.503863 3.875073 BFGS: 8691 18:19:26 -672.502590 3.891510 BFGS: 8692 18:19:27 -672.501316 3.897702 BFGS: 8693 18:19:27 -672.500044 3.887886 BFGS: 8694 18:19:27 -672.498770 3.898907 BFGS: 8695 18:19:27 -672.497496 3.911314 BFGS: 8696 18:19:27 -672.496223 3.919250 BFGS: 8697 18:19:27 -672.494949 3.927801 BFGS: 8698 18:19:27 -672.493677 3.925568 BFGS: 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-672.461874 3.963447 BFGS: 8724 18:19:29 -672.460603 3.996195 BFGS: 8725 18:19:29 -672.459332 3.997476 BFGS: 8726 18:19:29 -672.458058 3.959355 BFGS: 8727 18:19:29 -672.456790 4.006158 BFGS: 8728 18:19:29 -672.455519 4.005926 BFGS: 8729 18:19:29 -672.454247 3.987675 BFGS: 8730 18:19:29 -672.452976 4.014025 BFGS: 8731 18:19:29 -672.451705 4.016467 BFGS: 8732 18:19:29 -672.450399 3.903018 BFGS: 8733 18:19:29 -672.449163 4.025673 BFGS: 8734 18:19:29 -672.447893 4.023198 BFGS: 8735 18:19:30 -672.446622 4.015328 BFGS: 8736 18:19:30 -672.445351 4.030293 BFGS: 8737 18:19:30 -672.444080 4.036793 BFGS: 8738 18:19:30 -672.442810 4.031238 BFGS: 8739 18:19:30 -672.441540 4.034662 BFGS: 8740 18:19:30 -672.440139 3.828417 BFGS: 8741 18:19:30 -672.438998 4.050209 BFGS: 8742 18:19:30 -672.437728 4.047199 BFGS: 8743 18:19:30 -672.436458 4.041182 BFGS: 8744 18:19:30 -672.435188 4.053951 BFGS: 8745 18:19:30 -672.433917 4.061807 BFGS: 8746 18:19:30 -672.432647 4.064369 BFGS: 8747 18:19:30 -672.431359 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9867 18:20:52 -671.047328 7.057274 BFGS: 9868 18:20:52 -671.046147 7.132223 BFGS: 9869 18:20:52 -671.044948 7.131505 BFGS: 9870 18:20:52 -671.043748 7.127851 BFGS: 9871 18:20:52 -671.042548 7.137173 BFGS: 9872 18:20:53 -671.041348 7.141626 BFGS: 9873 18:20:53 -671.040149 7.138575 BFGS: 9874 18:20:53 -671.038949 7.141348 BFGS: 9875 18:20:53 -671.036971 6.796454 BFGS: 9876 18:20:53 -671.036219 7.422375 BFGS: 9877 18:20:53 -671.035318 7.115406 BFGS: 9878 18:20:53 -671.034150 7.160889 BFGS: 9879 18:20:53 -671.032952 7.160646 BFGS: 9880 18:20:53 -671.031752 7.160553 BFGS: 9881 18:20:53 -671.030553 7.158579 BFGS: 9882 18:20:53 -671.029354 7.163265 BFGS: 9883 18:20:53 -671.028125 7.104321 BFGS: 9884 18:20:53 -671.026956 7.172933 BFGS: 9885 18:20:53 -671.025757 7.174847 BFGS: 9886 18:20:53 -671.024558 7.167363 BFGS: 9887 18:20:53 -671.023359 7.179734 BFGS: 9888 18:20:54 -671.022160 7.183799 BFGS: 9889 18:20:54 -671.020962 7.165898 BFGS: 9890 18:20:54 -671.019764 7.183450 BFGS: 9891 18:20:54 -671.018565 7.187150 BFGS: 9892 18:20:54 -671.017362 7.148979 BFGS: 9893 18:20:54 -671.016169 7.192864 BFGS: 9894 18:20:54 -671.014970 7.193537 BFGS: 9895 18:20:54 -671.013772 7.188265 BFGS: 9896 18:20:54 -671.012574 7.200070 BFGS: 9897 18:20:54 -671.011376 7.203361 BFGS: 9898 18:20:54 -671.010174 7.169627 BFGS: 9899 18:20:54 -671.008980 7.209119 BFGS: 9900 18:20:54 -671.007782 7.209265 BFGS: 9901 18:20:54 -671.006584 7.202695 BFGS: 9902 18:20:55 -671.005386 7.215164 BFGS: 9903 18:20:55 -671.004189 7.218139 BFGS: 9904 18:20:55 -671.002984 7.175150 BFGS: 9905 18:20:55 -671.001793 7.224037 BFGS: 9906 18:20:55 -671.000596 7.223746 BFGS: 9907 18:20:55 -670.999398 7.218753 BFGS: 9908 18:20:55 -670.998201 7.229497 BFGS: 9909 18:20:55 -670.997004 7.233087 BFGS: 9910 18:20:55 -670.995806 7.220293 BFGS: 9911 18:20:55 -670.994609 7.237317 BFGS: 9912 18:20:55 -670.993412 7.239469 BFGS: 9913 18:20:55 -670.992179 7.149891 BFGS: 9914 18:20:55 -670.991018 7.246332 BFGS: 9915 18:20:55 -670.989821 7.245569 BFGS: 9916 18:20:55 -670.988624 7.242663 BFGS: 9917 18:20:55 -670.987427 7.251083 BFGS: 9918 18:20:56 -670.986230 7.255866 BFGS: 9919 18:20:56 -670.985034 7.255674 BFGS: 9920 18:20:56 -670.983837 7.248784 BFGS: 9921 18:20:56 -670.982641 7.261330 BFGS: 9922 18:20:56 -670.981444 7.264843 BFGS: 9923 18:20:56 -670.980247 7.246540 BFGS: 9924 18:20:56 -670.979051 7.269533 BFGS: 9925 18:20:56 -670.977855 7.270985 BFGS: 9926 18:20:56 -670.976658 7.254492 BFGS: 9927 18:20:56 -670.975463 7.277595 BFGS: 9928 18:20:56 -670.974267 7.278678 BFGS: 9929 18:20:56 -670.973070 7.267470 BFGS: 9930 18:20:56 -670.971875 7.284932 BFGS: 9931 18:20:56 -670.970679 7.286619 BFGS: 9932 18:20:56 -670.969481 7.262346 BFGS: 9933 18:20:57 -670.968287 7.293014 BFGS: 9934 18:20:57 -670.967092 7.293380 BFGS: 9935 18:20:57 -670.965896 7.286109 BFGS: 9936 18:20:57 -670.964700 7.299265 BFGS: 9937 18:20:57 -670.963505 7.301876 BFGS: 9938 18:20:57 -670.962201 7.148855 BFGS: 9939 18:20:57 -670.961114 7.308463 BFGS: 9940 18:20:57 -670.959919 7.307445 BFGS: 9941 18:20:57 -670.958724 7.304972 BFGS: 9942 18:20:57 -670.957528 7.312661 BFGS: 9943 18:20:57 -670.956333 7.317801 BFGS: 9944 18:20:57 -670.955138 7.319935 BFGS: 9945 18:20:57 -670.953904 7.220566 BFGS: 9946 18:20:57 -670.952748 7.325390 BFGS: 9947 18:20:57 -670.951553 7.324613 BFGS: 9948 18:20:57 -670.950358 7.318954 BFGS: 9949 18:20:58 -670.949164 7.329044 BFGS: 9950 18:20:58 -670.947969 7.334015 BFGS: 9951 18:20:58 -670.946774 7.338005 BFGS: 9952 18:20:58 -670.945580 7.336432 BFGS: 9953 18:20:58 -670.944385 7.344709 BFGS: 9954 18:20:58 -670.943191 7.348430 BFGS: 9955 18:20:58 -670.941997 7.333168 BFGS: 9956 18:20:58 -670.940802 7.348393 BFGS: 9957 18:20:58 -670.939608 7.351267 BFGS: 9958 18:20:58 -670.938410 7.318847 BFGS: 9959 18:20:58 -670.937220 7.356590 BFGS: 9960 18:20:58 -670.936026 7.356743 BFGS: 9961 18:20:58 -670.934832 7.350322 BFGS: 9962 18:20:58 -670.933638 7.362613 BFGS: 9963 18:20:59 -670.932444 7.365509 BFGS: 9964 18:20:59 -670.931243 7.322403 BFGS: 9965 18:20:59 -670.930057 7.371438 BFGS: 9966 18:20:59 -670.928863 7.371216 BFGS: 9967 18:20:59 -670.927670 7.366752 BFGS: 9968 18:20:59 -670.926476 7.376964 BFGS: 9969 18:20:59 -670.925283 7.380630 BFGS: 9970 18:20:59 -670.924089 7.370262 BFGS: 9971 18:20:59 -670.922896 7.384567 BFGS: 9972 18:20:59 -670.921703 7.387225 BFGS: 9973 18:20:59 -670.920477 7.302450 BFGS: 9974 18:20:59 -670.919316 7.393714 BFGS: 9975 18:20:59 -670.918124 7.393088 BFGS: 9976 18:20:59 -670.916931 7.390351 BFGS: 9977 18:20:59 -670.915738 7.398610 BFGS: 9978 18:20:59 -670.914545 7.403245 BFGS: 9979 18:21:00 -670.913352 7.402806 BFGS: 9980 18:21:00 -670.912159 7.398372 BFGS: 9981 18:21:00 -670.910967 7.407914 BFGS: 9982 18:21:00 -670.909774 7.412715 BFGS: 9983 18:21:00 -670.908582 7.414989 BFGS: 9984 18:21:00 -670.907383 7.378148 BFGS: 9985 18:21:00 -670.906197 7.420584 BFGS: 9986 18:21:00 -670.905005 7.420601 BFGS: 9987 18:21:00 -670.903812 7.415942 BFGS: 9988 18:21:00 -670.902620 7.426377 BFGS: 9989 18:21:00 -670.901428 7.429768 BFGS: 9990 18:21:00 -670.900235 7.411830 BFGS: 9991 18:21:00 -670.899044 7.434530 BFGS: 9992 18:21:00 -670.897852 7.435770 BFGS: 9993 18:21:00 -670.896660 7.421903 BFGS: 9994 18:21:00 -670.895468 7.442074 BFGS: 9995 18:21:01 -670.894277 7.443277 BFGS: 9996 18:21:01 -670.893084 7.429549 BFGS: 9997 18:21:01 -670.891893 7.449390 BFGS: 9998 18:21:01 -670.890702 7.450642 BFGS: 9999 18:21:01 -670.889510 7.436442 BFGS: 10000 18:21:01 -670.888319 7.456788 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 7.9523590800124735 eV/Angstrom Maximum stress component: 0.4321041722543409 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[8.24168571e-01 0.00000000e+00 9.13083702e-02] [1.75831429e-01 2.93965408e-24 9.08691630e-01] [3.24168571e-01 5.00000000e-01 9.13083702e-02] [6.75831429e-01 5.00000000e-01 9.08691630e-01] [3.83556555e-01 3.09874138e-25 8.17300426e-01] [6.16443445e-01 0.00000000e+00 1.82699574e-01] [8.83556555e-01 5.00000000e-01 8.17300426e-01] [1.16443445e-01 5.00000000e-01 1.82699574e-01] [7.19914232e-01 2.70690397e-30 1.62503521e-01] [2.80085768e-01 1.79297880e-28 8.37496479e-01] [2.19914232e-01 5.00000000e-01 1.62503521e-01] [7.80085768e-01 5.00000000e-01 8.37496479e-01] [2.62242915e-01 8.13669470e-32 3.67371197e-01] [7.37757085e-01 2.72579273e-30 6.32628803e-01] [7.62242915e-01 5.00000000e-01 3.67371197e-01] [2.37757085e-01 5.00000000e-01 6.32628803e-01]] cellpar = Cell([[13.55315065088962, -1.6176088512489673e-16, 2.263827207266292], [-5.452144426676787e-17, 2.1208037088215748, 1.0390165249343098e-16], [0.2649030378903604, 1.3399161571175351e-16, 2.7710107071731485]]) forces = [[ 1.81629533e+00 4.15371054e-17 1.56017011e+00] [-1.81629533e+00 -4.15371054e-17 -1.56017011e+00] [ 1.81629533e+00 4.15371054e-17 1.56017011e+00] [-1.81629533e+00 -4.15371054e-17 -1.56017011e+00] [ 5.12577245e+00 -4.04810428e-17 1.26764595e+00] [-5.12577245e+00 4.04810428e-17 -1.26764595e+00] [ 5.12577245e+00 -4.04810428e-17 1.26764595e+00] [-5.12577245e+00 4.04810428e-17 -1.26764595e+00] [-2.11766283e+00 1.99805778e-16 3.11615051e+00] [ 2.11766283e+00 -1.99805778e-16 -3.11615051e+00] [-2.11766283e+00 1.99805778e-16 3.11615051e+00] [ 2.11766283e+00 -1.99805778e-16 -3.11615051e+00] [-7.95235908e+00 3.59198993e-16 3.92598072e+00] [ 7.95235908e+00 -3.59198993e-16 -3.92598072e+00] [-7.95235908e+00 3.59198993e-16 3.92598072e+00] [ 7.95235908e+00 -3.59198993e-16 -3.92598072e+00]] stress = [-4.32104172e-01 -1.26704310e-01 -8.78778797e-02 -6.10186686e-18 -2.22351661e-01 -1.19941384e-17] energy per atom = -41.93051992422149 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0