element(s): ['Si'] AFLOW prototype label: A_cF136_227_aeg Parameter names: ['a', 'x2', 'x3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.7362', '0.76473335', '0.31636148', '0.12789779'] model name: ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Si__MO_722489435928_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0.88973335 0.88973335 0.88973335] [0.44136148 0.44136148 0.25289779]] spacegroup = 227 cell = [[14.7362, 0, 0], [0, 14.7362, 0], [0, 0, 14.7362]] ========================================= Step Time Energy fmax BFGS: 0 14:55:15 166.691848 9.325443 BFGS: 1 14:55:16 133.620366 10.138845 BFGS: 2 14:55:16 108.830385 10.265623 BFGS: 3 14:55:17 88.018357 9.708555 BFGS: 4 14:55:18 70.029307 8.782563 BFGS: 5 14:55:18 54.276704 7.842774 BFGS: 6 14:55:19 40.156853 7.118945 BFGS: 7 14:55:19 29.137474 6.745242 BFGS: 8 14:55:20 19.669986 6.587859 BFGS: 9 14:55:20 10.850729 6.566582 BFGS: 10 14:55:21 2.171551 6.637448 BFGS: 11 14:55:22 -6.911755 6.772910 BFGS: 12 14:55:22 -16.779643 6.946801 BFGS: 13 14:55:23 -27.671976 7.158903 BFGS: 14 14:55:23 -39.804148 7.411773 BFGS: 15 14:55:24 -53.341647 7.693098 BFGS: 16 14:55:24 -68.272544 7.952725 BFGS: 17 14:55:25 187.036023 11.725216 BFGS: 18 14:55:26 -80.824742 8.156043 BFGS: 19 14:55:27 -83.440159 8.229755 BFGS: 20 14:55:27 -85.949153 8.299489 BFGS: 21 14:55:28 -88.406894 8.362830 BFGS: 22 14:55:28 -90.832717 8.418592 BFGS: 23 14:55:29 -93.234014 8.466097 BFGS: 24 14:55:29 -95.613318 8.504957 BFGS: 25 14:55:30 -97.970959 8.534993 BFGS: 26 14:55:30 -100.306251 8.556193 BFGS: 27 14:55:31 -102.618091 8.568677 BFGS: 28 14:55:31 -104.905294 8.572670 BFGS: 29 14:55:32 -107.166766 8.568483 BFGS: 30 14:55:32 -109.401597 8.556480 BFGS: 31 14:55:33 -111.609093 8.537067 BFGS: 32 14:55:33 -113.788785 8.510673 BFGS: 33 14:55:34 -115.940411 8.477733 BFGS: 34 14:55:34 -118.063885 8.438684 BFGS: 35 14:55:35 -120.159272 8.393948 BFGS: 36 14:55:35 -122.226749 8.343934 BFGS: 37 14:55:36 -124.266575 8.289030 BFGS: 38 14:55:36 -126.279063 8.229599 BFGS: 39 14:55:37 -128.264555 8.165984 BFGS: 40 14:55:37 -130.223398 8.098499 BFGS: 41 14:55:37 -132.155933 8.027440 BFGS: 42 14:55:38 -134.062479 7.953075 BFGS: 43 14:55:38 -135.943323 7.875656 BFGS: 44 14:55:39 -137.798719 7.795413 BFGS: 45 14:55:39 -139.628878 7.712561 BFGS: 46 14:55:40 187.750856 15.376048 BFGS: 47 14:55:40 -142.297164 7.623920 BFGS: 48 14:55:41 -143.216686 7.614479 BFGS: 49 14:55:41 -144.129822 7.605637 BFGS: 50 14:55:42 -145.037146 7.597268 BFGS: 51 14:55:42 -145.939040 7.589276 BFGS: 52 14:55:43 -146.835766 7.581587 BFGS: 53 14:55:44 -147.727510 7.574142 BFGS: 54 14:55:44 -148.614407 7.566895 BFGS: 55 14:55:45 -149.496556 7.559808 BFGS: 56 14:55:45 -150.374034 7.552850 BFGS: 57 14:55:46 -151.246896 7.545998 BFGS: 58 14:55:46 -152.115188 7.539230 BFGS: 59 14:55:47 -152.978943 7.532532 BFGS: 60 14:55:47 -153.838189 7.525888 BFGS: 61 14:55:48 -154.692948 7.519288 BFGS: 62 14:55:48 -155.543234 7.512722 BFGS: 63 14:55:49 -156.389061 7.506183 BFGS: 64 14:55:49 -157.230439 7.499662 BFGS: 65 14:55:50 -158.067376 7.493156 BFGS: 66 14:55:50 -158.899877 7.486658 BFGS: 67 14:55:50 -159.727947 7.480164 BFGS: 68 14:55:51 -160.551589 7.473670 BFGS: 69 14:55:51 -161.370805 7.467173 BFGS: 70 14:55:52 -162.185597 7.460669 BFGS: 71 14:55:52 -162.995966 7.454156 BFGS: 72 14:55:53 -163.801913 7.447631 BFGS: 73 14:55:53 -164.603439 7.441092 BFGS: 74 14:55:53 -165.400545 7.434536 BFGS: 75 14:55:54 -166.193230 7.427961 BFGS: 76 14:55:54 -166.981496 7.421366 BFGS: 77 14:55:54 -167.765343 7.414748 BFGS: 78 14:55:55 -168.544772 7.408106 BFGS: 79 14:55:55 -169.319785 7.401438 BFGS: 80 14:55:55 -170.090382 7.394742 BFGS: 81 14:55:56 -170.856566 7.388018 BFGS: 82 14:55:56 -171.618337 7.381264 BFGS: 83 14:55:57 -172.375700 7.374478 BFGS: 84 14:55:57 -173.128656 7.367660 BFGS: 85 14:55:57 -173.877208 7.360807 BFGS: 86 14:55:58 -174.621360 7.353920 BFGS: 87 14:55:58 -175.361115 7.346997 BFGS: 88 14:55:59 -176.096477 7.340037 BFGS: 89 14:55:59 -176.827452 7.333039 BFGS: 90 14:55:59 -177.554043 7.326002 BFGS: 91 14:56:00 -178.276255 7.318926 BFGS: 92 14:56:01 -178.994095 7.311810 BFGS: 93 14:56:01 -179.707568 7.304652 BFGS: 94 14:56:02 -180.416681 7.297454 BFGS: 95 14:56:02 -181.121439 7.290213 BFGS: 96 14:56:02 -181.821850 7.282929 BFGS: 97 14:56:03 -182.517922 7.275603 BFGS: 98 14:56:03 -183.209661 7.268233 BFGS: 99 14:56:04 -183.897075 7.260819 BFGS: 100 14:56:04 -184.580173 7.253361 BFGS: 101 14:56:04 -185.258963 7.245858 BFGS: 102 14:56:05 -185.933453 7.238311 BFGS: 103 14:56:05 -186.603653 7.230718 BFGS: 104 14:56:06 -187.269572 7.223081 BFGS: 105 14:56:06 -187.931221 7.215398 BFGS: 106 14:56:07 -188.588609 7.207669 BFGS: 107 14:56:07 -189.241749 7.199894 BFGS: 108 14:56:07 -189.890654 7.192072 BFGS: 109 14:56:08 -190.535336 7.184204 BFGS: 110 14:56:08 -191.175809 7.176288 BFGS: 111 14:56:09 -191.812085 7.168325 BFGS: 112 14:56:09 -192.444178 7.160314 BFGS: 113 14:56:10 -193.072103 7.152256 BFGS: 114 14:56:10 -193.695872 7.144149 BFGS: 115 14:56:11 -194.315500 7.135995 BFGS: 116 14:56:11 -194.931002 7.127794 BFGS: 117 14:56:11 -195.542391 7.119544 BFGS: 118 14:56:12 -196.149682 7.111247 BFGS: 119 14:56:12 -196.752890 7.102903 BFGS: 120 14:56:12 -197.352030 7.094512 BFGS: 121 14:56:13 -197.947118 7.086075 BFGS: 122 14:56:13 -198.538175 7.077596 BFGS: 123 14:56:13 -199.125221 7.069080 BFGS: 124 14:56:14 -199.708276 7.060532 BFGS: 125 14:56:14 -200.287363 7.051956 BFGS: 126 14:56:14 -200.862504 7.043358 BFGS: 127 14:56:15 -201.433723 7.034743 BFGS: 128 14:56:15 -202.001043 7.026116 BFGS: 129 14:56:15 -202.564489 7.017480 BFGS: 130 14:56:16 -203.124085 7.008841 BFGS: 131 14:56:16 -203.679858 7.000203 BFGS: 132 14:56:17 -204.231833 6.991570 BFGS: 133 14:56:17 -204.780037 6.982946 BFGS: 134 14:56:18 -205.324496 6.974335 BFGS: 135 14:56:18 -205.865239 6.965743 BFGS: 136 14:56:18 -206.402292 6.957171 BFGS: 137 14:56:19 -206.935686 6.948626 BFGS: 138 14:56:19 -207.465448 6.940110 BFGS: 139 14:56:20 -207.991609 6.931628 BFGS: 140 14:56:20 -208.514198 6.923184 BFGS: 141 14:56:21 -209.033246 6.914782 BFGS: 142 14:56:21 -209.548784 6.906427 BFGS: 143 14:56:22 -210.060844 6.898122 BFGS: 144 14:56:22 -210.569458 6.889872 BFGS: 145 14:56:23 -211.074659 6.881682 BFGS: 146 14:56:23 -211.576480 6.873556 BFGS: 147 14:56:23 -212.074955 6.865498 BFGS: 148 14:56:24 -212.570120 6.857514 BFGS: 149 14:56:24 -213.062010 6.849609 BFGS: 150 14:56:24 -213.550661 6.841788 BFGS: 151 14:56:25 -214.036110 6.834055 BFGS: 152 14:56:25 -214.518396 6.826416 BFGS: 153 14:56:26 -214.997557 6.818877 BFGS: 154 14:56:26 -215.473632 6.811444 BFGS: 155 14:56:26 -215.946663 6.804123 BFGS: 156 14:56:27 -216.416692 6.796919 BFGS: 157 14:56:27 -216.883761 6.789839 BFGS: 158 14:56:27 -217.347915 6.782891 BFGS: 159 14:56:28 -217.809198 6.776080 BFGS: 160 14:56:28 -218.267659 6.769415 BFGS: 161 14:56:29 -218.723345 6.762902 BFGS: 162 14:56:29 -219.176306 6.756549 BFGS: 163 14:56:29 -219.626594 6.750365 BFGS: 164 14:56:30 -220.074262 6.744359 BFGS: 165 14:56:30 -220.519366 6.738538 BFGS: 166 14:56:30 -220.961962 6.732913 BFGS: 167 14:56:31 -221.402111 6.727492 BFGS: 168 14:56:31 -221.839874 6.722287 BFGS: 169 14:56:31 -222.275317 6.717308 BFGS: 170 14:56:32 -222.708507 6.712565 BFGS: 171 14:56:32 -223.139514 6.708071 BFGS: 172 14:56:32 -223.568413 6.703837 BFGS: 173 14:56:33 -223.995280 6.699877 BFGS: 174 14:56:33 -224.420197 6.696203 BFGS: 175 14:56:34 -224.843248 6.692830 BFGS: 176 14:56:34 -225.264525 6.689771 BFGS: 177 14:56:34 -225.684120 6.687042 BFGS: 178 14:56:35 -226.102134 6.684659 BFGS: 179 14:56:35 -226.518672 6.682637 BFGS: 180 14:56:36 -226.933845 6.680995 BFGS: 181 14:56:36 -227.347771 6.679748 BFGS: 182 14:56:36 -227.760573 6.678916 BFGS: 183 14:56:37 -228.172384 6.678516 BFGS: 184 14:56:37 -228.583342 6.678566 BFGS: 185 14:56:37 -228.993593 6.679086 BFGS: 186 14:56:38 -229.403293 6.680091 BFGS: 187 14:56:38 -229.812602 6.681598 BFGS: 188 14:56:39 -230.221689 6.683619 BFGS: 189 14:56:39 -230.630726 6.686161 BFGS: 190 14:56:40 -231.039879 6.689219 BFGS: 191 14:56:40 -231.449285 6.692750 BFGS: 192 14:56:41 -231.860579 6.698201 BFGS: 193 14:56:41 -232.275096 6.706358 BFGS: 194 14:56:41 -232.694146 6.717784 BFGS: 195 14:56:42 -233.119132 6.732954 BFGS: 196 14:56:42 -233.551676 6.752366 BFGS: 197 14:56:43 -233.993805 6.776621 BFGS: 198 14:56:43 -234.448171 6.806513 BFGS: 199 14:56:44 -234.918386 6.843117 BFGS: 200 14:56:44 -235.409508 6.887898 BFGS: 201 14:56:45 -235.928808 6.942855 BFGS: 202 14:56:45 -236.486927 7.010674 BFGS: 203 14:56:45 -237.099520 7.094828 BFGS: 204 14:56:46 -237.789132 7.199431 BFGS: 205 14:56:46 -238.586137 7.328556 BFGS: 206 14:56:46 -239.526841 7.485073 BFGS: 207 14:56:47 -240.648676 7.670040 BFGS: 208 14:56:47 -241.984623 7.883351 BFGS: 209 14:56:47 -243.552834 8.123759 BFGS: 210 14:56:48 -245.325082 8.385588 BFGS: 211 14:56:48 -247.153856 8.647677 BFGS: 212 14:56:48 -248.809125 8.882069 BFGS: 213 14:56:49 -250.077915 9.049484 BFGS: 214 14:56:49 -251.044346 9.156742 BFGS: 215 14:56:50 -251.845752 9.225796 BFGS: 216 14:56:50 -252.561416 9.272022 BFGS: 217 14:56:50 -253.229521 9.303969 BFGS: 218 14:56:51 -253.868874 9.326375 BFGS: 219 14:56:51 -254.489413 9.342008 BFGS: 220 14:56:52 -255.096779 9.352596 BFGS: 221 14:56:52 -255.694378 9.359277 BFGS: 222 14:56:52 -256.284370 9.362838 BFGS: 223 14:56:53 -256.868178 9.363847 BFGS: 224 14:56:53 -257.446765 9.362727 BFGS: 225 14:56:54 -258.020793 9.359797 BFGS: 226 14:56:54 -258.590723 9.355306 BFGS: 227 14:56:54 -259.156875 9.349449 BFGS: 228 14:56:55 -259.719467 9.342383 BFGS: 229 14:56:55 -260.278646 9.334230 BFGS: 230 14:56:55 -260.834503 9.325093 BFGS: 231 14:56:56 -261.387088 9.315054 BFGS: 232 14:56:56 -261.936422 9.304182 BFGS: 233 14:56:56 -262.482502 9.292533 BFGS: 234 14:56:57 -263.025306 9.280154 BFGS: 235 14:56:57 -263.564801 9.267088 BFGS: 236 14:56:57 -264.100940 9.253368 BFGS: 237 14:56:58 -264.633672 9.239026 BFGS: 238 14:56:58 -265.162937 9.224089 BFGS: 239 14:56:59 -265.688673 9.208581 BFGS: 240 14:56:59 -266.210813 9.192525 BFGS: 241 14:56:59 -266.729289 9.175940 BFGS: 242 14:57:00 -267.244033 9.158847 BFGS: 243 14:57:00 -267.754974 9.141262 BFGS: 244 14:57:01 -268.262043 9.123203 BFGS: 245 14:57:01 -268.765171 9.104686 BFGS: 246 14:57:02 -269.264289 9.085727 BFGS: 247 14:57:02 -269.759330 9.066341 BFGS: 248 14:57:03 -270.250230 9.046543 BFGS: 249 14:57:03 -270.736924 9.026348 BFGS: 250 14:57:04 -271.219351 9.005770 BFGS: 251 14:57:04 -271.697451 8.984823 BFGS: 252 14:57:04 -272.171167 8.963522 BFGS: 253 14:57:05 -272.640444 8.941880 BFGS: 254 14:57:05 -273.105229 8.919910 BFGS: 255 14:57:05 -273.565473 8.897627 BFGS: 256 14:57:06 -274.021129 8.875044 BFGS: 257 14:57:06 -274.472152 8.852175 BFGS: 258 14:57:06 -274.918500 8.829032 BFGS: 259 14:57:07 -275.360135 8.805629 BFGS: 260 14:57:07 -275.797020 8.781980 BFGS: 261 14:57:07 -276.229121 8.758096 BFGS: 262 14:57:08 -276.656409 8.733992 BFGS: 263 14:57:08 -277.078856 8.709679 BFGS: 264 14:57:09 -277.496436 8.685171 BFGS: 265 14:57:09 -277.909127 8.660480 BFGS: 266 14:57:10 -278.316909 8.635618 BFGS: 267 14:57:10 -278.719767 8.610598 BFGS: 268 14:57:10 -279.117686 8.585433 BFGS: 269 14:57:11 -279.510654 8.560133 BFGS: 270 14:57:11 -279.898662 8.534711 BFGS: 271 14:57:12 -280.281704 8.509178 BFGS: 272 14:57:12 -280.659776 8.483547 BFGS: 273 14:57:12 -281.032877 8.457827 BFGS: 274 14:57:13 -281.401008 8.432032 BFGS: 275 14:57:13 -281.764171 8.406171 BFGS: 276 14:57:13 -282.122372 8.380255 BFGS: 277 14:57:14 -282.475619 8.354295 BFGS: 278 14:57:14 -282.823921 8.328302 BFGS: 279 14:57:15 -283.167292 8.302285 BFGS: 280 14:57:15 -283.505743 8.276254 BFGS: 281 14:57:15 -283.839292 8.250220 BFGS: 282 14:57:16 -284.167955 8.224192 BFGS: 283 14:57:16 -555.602322 3.461847 BFGS: 284 14:57:17 -555.939087 3.441082 BFGS: 285 14:57:17 -556.274521 3.420158 BFGS: 286 14:57:18 -556.608581 3.399110 BFGS: 287 14:57:18 -556.941222 3.377973 BFGS: 288 14:57:18 -557.272405 3.356782 BFGS: 289 14:57:19 -557.602087 3.335572 BFGS: 290 14:57:19 -557.930231 3.314376 BFGS: 291 14:57:20 -558.256802 3.293229 BFGS: 292 14:57:20 -558.581764 3.272165 BFGS: 293 14:57:20 -558.905087 3.251216 BFGS: 294 14:57:21 -559.226742 3.230415 BFGS: 295 14:57:21 -559.546701 3.209794 BFGS: 296 14:57:21 -559.864941 3.189384 BFGS: 297 14:57:22 -560.181441 3.169215 BFGS: 298 14:57:22 -560.496182 3.149317 BFGS: 299 14:57:22 -560.809150 3.129718 BFGS: 300 14:57:23 -561.120334 3.110446 BFGS: 301 14:57:23 -561.429723 3.091526 BFGS: 302 14:57:24 -561.737314 3.072984 BFGS: 303 14:57:24 -562.043105 3.054843 BFGS: 304 14:57:24 -562.347096 3.037124 BFGS: 305 14:57:25 -562.649294 3.019849 BFGS: 306 14:57:25 -562.949707 3.003036 BFGS: 307 14:57:25 -563.248346 2.986701 BFGS: 308 14:57:26 -563.545227 2.970860 BFGS: 309 14:57:26 -563.840368 2.955527 BFGS: 310 14:57:27 -564.133791 2.940711 BFGS: 311 14:57:27 -564.425521 2.926421 BFGS: 312 14:57:27 -564.715584 2.912666 BFGS: 313 14:57:28 -565.004013 2.912602 BFGS: 314 14:57:28 -565.290838 2.913500 BFGS: 315 14:57:28 -565.576095 2.914346 BFGS: 316 14:57:29 -565.859822 2.915144 BFGS: 317 14:57:29 -566.142057 2.915900 BFGS: 318 14:57:29 -566.422841 2.916617 BFGS: 319 14:57:30 -566.702215 2.917302 BFGS: 320 14:57:30 -566.980224 2.917957 BFGS: 321 14:57:31 -567.256910 2.918586 BFGS: 322 14:57:31 -567.532319 2.919195 BFGS: 323 14:57:31 -567.806495 2.919786 BFGS: 324 14:57:32 -568.079484 2.920362 BFGS: 325 14:57:32 -568.351330 2.920928 BFGS: 326 14:57:32 -568.622079 2.921486 BFGS: 327 14:57:33 -568.891774 2.922038 BFGS: 328 14:57:33 -569.160460 2.922588 BFGS: 329 14:57:34 -569.428179 2.923138 BFGS: 330 14:57:34 -569.694974 2.923691 BFGS: 331 14:57:34 -569.960885 2.924247 BFGS: 332 14:57:35 -570.225952 2.924809 BFGS: 333 14:57:35 -570.490214 2.925380 BFGS: 334 14:57:36 -570.753707 2.925959 BFGS: 335 14:57:36 -571.016468 2.926550 BFGS: 336 14:57:37 -571.278531 2.927152 BFGS: 337 14:57:37 -571.539930 2.927768 BFGS: 338 14:57:37 -571.800694 2.928397 BFGS: 339 14:57:38 -572.060855 2.929042 BFGS: 340 14:57:38 -572.320442 2.929702 BFGS: 341 14:57:39 -572.579480 2.930379 BFGS: 342 14:57:39 -572.837996 2.931073 BFGS: 343 14:57:40 -573.096014 2.931784 BFGS: 344 14:57:40 -573.353557 2.932513 BFGS: 345 14:57:40 -573.610646 2.933260 BFGS: 346 14:57:41 -573.867302 2.934026 BFGS: 347 14:57:41 -574.123544 2.934810 BFGS: 348 14:57:41 -574.379389 2.935613 BFGS: 349 14:57:42 -574.634855 2.936436 BFGS: 350 14:57:42 -574.889957 2.937277 BFGS: 351 14:57:43 -575.144710 2.938137 BFGS: 352 14:57:43 -575.399127 2.939017 BFGS: 353 14:57:43 -575.653221 2.939916 BFGS: 354 14:57:44 -575.907004 2.940834 BFGS: 355 14:57:44 -576.160487 2.941771 BFGS: 356 14:57:45 -576.413680 2.942727 BFGS: 357 14:57:45 -576.666593 2.943702 BFGS: 358 14:57:46 -576.919235 2.944696 BFGS: 359 14:57:46 -577.171613 2.945709 BFGS: 360 14:57:47 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2.536292 BFGS: 4818 15:28:12 85.106268 25.186743 BFGS: 4819 15:28:12 -305.518519 2.509473 BFGS: 4820 15:28:12 -305.560789 2.485517 BFGS: 4821 15:28:13 85.920189 25.304135 BFGS: 4822 15:28:13 -305.606781 2.459066 BFGS: 4823 15:28:13 -305.647359 2.435381 BFGS: 4824 15:28:13 86.866297 25.440373 BFGS: 4825 15:28:14 -305.692850 2.408428 BFGS: 4826 15:28:14 -305.733059 2.384239 BFGS: 4827 15:28:14 88.001192 25.603556 BFGS: 4828 15:28:14 -305.779581 2.355809 BFGS: 4829 15:28:15 84.142391 25.047489 BFGS: 4830 15:28:15 -305.783530 2.353373 BFGS: 4831 15:28:15 -305.787095 2.351169 BFGS: 4832 15:28:16 106.422153 28.239685 BFGS: 4833 15:28:16 85.626599 25.259573 BFGS: 4834 15:28:16 -302.811665 3.629701 BFGS: 4835 15:28:17 -303.341587 3.454961 BFGS: 4836 15:28:17 86.343656 25.362928 BFGS: 4837 15:28:18 -303.770232 3.301666 BFGS: 4838 15:28:18 -304.111748 3.170496 BFGS: 4839 15:28:18 90.116690 25.903778 BFGS: 4840 15:28:19 -304.443647 3.034064 BFGS: 4841 15:28:19 -304.712365 2.916101 BFGS: 4842 15:28:20 94.470396 26.527681 BFGS: 4843 15:28:20 -304.985242 2.788334 BFGS: 4844 15:28:21 -305.208546 2.676857 BFGS: 4845 15:28:21 100.108803 27.335510 BFGS: 4846 15:28:21 -305.447611 2.549456 BFGS: 4847 15:28:22 -305.644091 2.437483 BFGS: 4848 15:28:22 108.617174 28.554629 BFGS: 4849 15:28:23 84.611062 25.114996 BFGS: 4850 15:28:23 -301.929095 3.891727 BFGS: 4851 15:28:23 -302.642158 3.683106 BFGS: 4852 15:28:24 85.598004 25.256975 BFGS: 4853 15:28:24 -303.209330 3.500488 BFGS: 4854 15:28:24 -303.652516 3.345364 BFGS: 4855 15:28:24 90.242716 25.922508 BFGS: 4856 15:28:24 -304.079500 3.183617 BFGS: 4857 15:28:25 -304.419420 3.044646 BFGS: 4858 15:28:25 95.569331 26.685651 BFGS: 4859 15:28:25 -304.761890 2.893775 BFGS: 4860 15:28:26 -305.037868 2.762835 BFGS: 4861 15:28:26 102.585157 27.690767 BFGS: 4862 15:28:27 -305.331846 2.612387 BFGS: 4863 15:28:27 -305.569741 2.480768 BFGS: 4864 15:28:28 113.756975 29.291861 BFGS: 4865 15:28:28 84.355971 25.079304 BFGS: 4866 15:28:29 -300.616585 4.228451 BFGS: 4867 15:28:29 -301.653530 3.967651 BFGS: 4868 15:28:30 86.007064 25.316270 BFGS: 4869 15:28:30 -302.462973 3.738155 BFGS: 4870 15:28:31 -303.078782 3.544495 BFGS: 4871 15:28:31 92.388992 26.230338 BFGS: 4872 15:28:31 -303.665781 3.340938 BFGS: 4873 15:28:32 -304.122088 3.167056 BFGS: 4874 15:28:33 99.852971 27.299530 BFGS: 4875 15:28:33 -304.578137 2.976427 BFGS: 4876 15:28:33 -304.937250 2.811802 BFGS: 4877 15:28:34 110.404767 28.811556 BFGS: 4878 15:28:34 -305.319672 2.618962 BFGS: 4879 15:28:34 -305.621022 2.451110 BFGS: 4880 15:28:35 124.817567 30.878241 BFGS: 4881 15:28:35 85.371605 25.225192 BFGS: 4882 15:28:35 -299.900575 4.391776 BFGS: 4883 15:28:36 -301.153812 4.098281 BFGS: 4884 15:28:37 92.047071 26.180854 BFGS: 4885 15:28:37 -302.214376 3.812024 BFGS: 4886 15:28:38 -303.002130 3.570091 BFGS: 4887 15:28:38 103.589704 27.833905 BFGS: 4888 15:28:39 -303.770516 3.302656 BFGS: 4889 15:28:40 -304.350837 3.073964 BFGS: 4890 15:28:40 113.974333 29.321946 BFGS: 4891 15:28:40 -304.898859 2.830195 BFGS: 4892 15:28:40 -305.318312 2.619726 BFGS: 4893 15:28:41 123.183164 30.641689 BFGS: 4894 15:28:41 -305.703900 2.402007 BFGS: 4895 15:28:41 85.939280 25.306344 BFGS: 4896 15:28:41 -305.733660 2.384026 BFGS: 4897 15:28:41 -305.760182 2.367841 BFGS: 4898 15:28:42 116.187576 29.629529 BFGS: 4899 15:28:42 86.014302 25.316334 BFGS: 4900 15:28:42 -302.420395 3.753188 BFGS: 4901 15:28:42 -303.045697 3.557148 BFGS: 4902 15:28:43 89.883033 25.868582 BFGS: 4903 15:28:43 -303.598667 3.366574 BFGS: 4904 15:28:43 -304.031045 3.203924 BFGS: 4905 15:28:43 95.679924 26.696178 BFGS: 4906 15:28:44 -304.454861 3.030433 BFGS: 4907 15:28:44 -304.791518 2.880708 BFGS: 4908 15:28:45 99.439888 27.232777 BFGS: 4909 15:28:45 -305.103501 2.730615 BFGS: 4910 15:28:45 -305.355807 2.599718 BFGS: 4911 15:28:46 101.420370 27.514940 BFGS: 4912 15:28:46 -305.579834 2.475016 BFGS: 4913 15:28:47 -305.764543 2.365148 BFGS: 4914 15:28:47 102.119733 27.613854 BFGS: 4915 15:28:47 85.146747 25.191544 BFGS: 4916 15:28:48 -303.854646 3.272070 BFGS: 4917 15:28:48 -304.159861 3.152922 BFGS: 4918 15:28:49 86.863922 25.436257 BFGS: 4919 15:28:49 -304.434706 3.039130 BFGS: 4920 15:28:50 -304.660043 2.940628 BFGS: 4921 15:28:50 89.918481 25.871611 BFGS: 4922 15:28:50 -304.887038 2.836033 BFGS: 4923 15:28:51 -305.075226 2.744727 BFGS: 4924 15:28:51 92.288142 26.209182 BFGS: 4925 15:28:52 -305.259469 2.650790 BFGS: 4926 15:28:52 -305.413972 2.568139 BFGS: 4927 15:28:52 94.036398 26.457994 BFGS: 4928 15:28:53 -305.561757 2.485376 BFGS: 4929 15:28:53 -305.687119 2.412013 BFGS: 4930 15:28:53 95.268854 26.633113 BFGS: 4931 15:28:54 83.990495 25.025759 BFGS: 4932 15:28:54 -304.397292 3.055123 BFGS: 4933 15:28:55 -304.586909 2.973228 BFGS: 4934 15:28:55 85.007561 25.170423 BFGS: 4935 15:28:55 -304.760095 2.895281 BFGS: 4936 15:28:56 -304.905635 2.827236 BFGS: 4937 15:28:56 87.032530 25.458585 BFGS: 4938 15:28:57 -305.055156 2.754690 BFGS: 4939 15:28:57 -305.181828 2.690955 BFGS: 4940 15:28:58 88.769299 25.705631 BFGS: 4941 15:28:58 -305.310043 2.624129 BFGS: 4942 15:28:59 -305.419529 2.565067 BFGS: 4943 15:28:59 90.240553 25.914787 BFGS: 4944 15:29:00 -305.528979 2.504030 BFGS: 4945 15:29:00 -305.623162 2.449782 BFGS: 4946 15:29:01 91.477465 26.090498 BFGS: 4947 15:29:01 -305.716379 2.394393 BFGS: 4948 15:29:01 83.916434 25.014252 BFGS: 4949 15:29:02 -305.724296 2.389607 BFGS: 4950 15:29:02 -305.731417 2.385289 BFGS: 4951 15:29:02 89.008889 25.736878 BFGS: 4952 15:29:03 -305.787794 2.350720 BFGS: 4953 15:29:03 84.301694 25.068634 BFGS: 4954 15:29:04 -305.792556 2.347768 BFGS: 4955 15:29:04 83.913044 25.013454 BFGS: 4956 15:29:04 -305.792967 2.347513 BFGS: 4957 15:29:05 -305.793339 2.347281 BFGS: 4958 15:29:05 84.691305 25.119146 BFGS: 4959 15:29:06 83.956545 25.019145 BFGS: 4960 15:29:06 -305.713958 2.396045 BFGS: 4961 15:29:06 -305.722633 2.390794 BFGS: 4962 15:29:07 83.957997 25.018755 BFGS: 4963 15:29:07 -305.730445 2.386049 BFGS: 4964 15:29:07 -305.737456 2.381775 BFGS: 4965 15:29:08 84.037418 25.028982 BFGS: 4966 15:29:08 -305.744588 2.377413 BFGS: 4967 15:29:08 -305.750993 2.373482 BFGS: 4968 15:29:09 84.121899 25.039953 BFGS: 4969 15:29:09 -305.757624 2.369399 BFGS: 4970 15:29:10 -305.763584 2.365717 BFGS: 4971 15:29:10 84.212046 25.051754 BFGS: 4972 15:29:10 -305.769865 2.361825 BFGS: 4973 15:29:11 -305.775513 2.358314 BFGS: 4974 15:29:11 84.308822 25.064522 BFGS: 4975 15:29:12 -305.781572 2.354537 BFGS: 4976 15:29:12 -305.787024 2.351127 BFGS: 4977 15:29:12 84.413566 25.078448 BFGS: 4978 15:29:13 -305.792977 2.347393 BFGS: 4979 15:29:13 83.926632 25.013416 BFGS: 4980 15:29:14 -305.793489 2.347073 BFGS: 4981 15:29:14 83.884879 25.007830 BFGS: 4982 15:29:14 -305.793533 2.347047 BFGS: 4983 15:29:15 -305.793572 2.347021 BFGS: 4984 15:29:15 84.186925 25.045432 BFGS: 4985 15:29:16 83.909976 25.010927 BFGS: 4986 15:29:16 -305.764010 2.365697 BFGS: 4987 15:29:16 -305.767209 2.363701 BFGS: 4988 15:29:17 83.917351 25.011400 BFGS: 4989 15:29:17 -305.770165 2.361851 BFGS: 4990 15:29:18 -305.772818 2.360184 BFGS: 4991 15:29:18 83.954423 25.015604 BFGS: 4992 15:29:18 -305.775583 2.358441 BFGS: 4993 15:29:19 -305.778066 2.356869 BFGS: 4994 15:29:19 83.994200 25.020216 BFGS: 4995 15:29:20 -305.780700 2.355196 BFGS: 4996 15:29:20 -305.783067 2.353687 BFGS: 4997 15:29:20 84.037123 25.025298 BFGS: 4998 15:29:21 -305.785622 2.352054 BFGS: 4999 15:29:21 -305.787921 2.350578 BFGS: 5000 15:29:21 84.083820 25.030941 BFGS: 5001 15:29:22 -305.790448 2.348954 BFGS: 5002 15:29:22 -305.792722 2.347485 BFGS: 5003 15:29:22 84.135134 25.037264 BFGS: 5004 15:29:23 83.897568 25.008406 BFGS: 5005 15:29:23 -305.767495 2.363534 BFGS: 5006 15:29:23 -305.770222 2.361822 BFGS: 5007 15:29:24 83.907806 25.009296 BFGS: 5008 15:29:24 -305.772779 2.360211 BFGS: 5009 15:29:25 -305.775074 2.358760 BFGS: 5010 15:29:25 83.943533 25.013325 BFGS: 5011 15:29:25 -305.777499 2.357220 BFGS: 5012 15:29:26 -305.779677 2.355832 BFGS: 5013 15:29:26 83.981826 25.017740 BFGS: 5014 15:29:27 -305.782017 2.354336 BFGS: 5015 15:29:27 -305.784120 2.352985 BFGS: 5016 15:29:28 84.023192 25.022616 BFGS: 5017 15:29:28 -305.786419 2.351506 BFGS: 5018 15:29:28 -305.788488 2.350169 BFGS: 5019 15:29:29 84.068312 25.028048 BFGS: 5020 15:29:29 -305.790788 2.348680 BFGS: 5021 15:29:30 -305.792859 2.347334 BFGS: 5022 15:29:30 84.118063 25.034160 BFGS: 5023 15:29:30 83.897124 25.007699 BFGS: 5024 15:29:30 -305.769536 2.362261 BFGS: 5025 15:29:30 -305.772050 2.360675 BFGS: 5026 15:29:30 83.909623 25.008919 BFGS: 5027 15:29:31 -305.774436 2.359163 BFGS: 5028 15:29:31 -305.776578 2.357801 BFGS: 5029 15:29:31 83.945848 25.013033 BFGS: 5030 15:29:31 -305.778867 2.356340 BFGS: 5031 15:29:31 -305.780924 2.355022 BFGS: 5032 15:29:31 83.984685 25.017540 BFGS: 5033 15:29:31 -305.783157 2.353586 BFGS: 5034 15:29:31 -305.785165 2.352290 BFGS: 5035 15:29:31 84.026703 25.022521 BFGS: 5036 15:29:32 -305.787382 2.350856 BFGS: 5037 15:29:32 -305.789377 2.349561 BFGS: 5038 15:29:32 84.072636 25.028081 BFGS: 5039 15:29:32 -305.791617 2.348105 BFGS: 5040 15:29:32 83.882033 25.005485 BFGS: 5041 15:29:32 -305.791806 2.347984 BFGS: 5042 15:29:32 -305.791978 2.347873 BFGS: 5043 15:29:32 84.198836 25.045507 BFGS: 5044 15:29:32 83.896917 25.007504 BFGS: 5045 15:29:33 -305.760250 2.368073 BFGS: 5046 15:29:33 -305.763642 2.365940 BFGS: 5047 15:29:33 83.915387 25.009582 BFGS: 5048 15:29:33 -305.766881 2.363897 BFGS: 5049 15:29:33 -305.769794 2.362053 BFGS: 5050 15:29:34 83.966067 25.015766 BFGS: 5051 15:29:34 -305.772921 2.360068 BFGS: 5052 15:29:34 -305.775734 2.358276 BFGS: 5053 15:29:35 84.020314 25.022477 BFGS: 5054 15:29:35 -305.778801 2.356318 BFGS: 5055 15:29:35 -305.781563 2.354548 BFGS: 5056 15:29:36 84.078915 25.029827 BFGS: 5057 15:29:37 -305.784622 2.352585 BFGS: 5058 15:29:37 -305.787378 2.350809 BFGS: 5059 15:29:38 84.142870 25.037959 BFGS: 5060 15:29:38 -305.790479 2.348809 BFGS: 5061 15:29:39 -305.793275 2.347000 BFGS: 5062 15:29:39 84.213436 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15:29:50 83.964683 25.016037 BFGS: 5088 15:29:51 -305.750606 2.374032 BFGS: 5089 15:29:51 -305.755555 2.370925 BFGS: 5090 15:29:52 84.056978 25.028169 BFGS: 5091 15:29:52 -305.760926 2.367545 BFGS: 5092 15:29:52 -305.765764 2.364491 BFGS: 5093 15:29:53 84.155635 25.041224 BFGS: 5094 15:29:53 -305.771090 2.361120 BFGS: 5095 15:29:54 -305.775892 2.358073 BFGS: 5096 15:29:54 84.262123 25.055413 BFGS: 5097 15:29:54 -305.781253 2.354662 BFGS: 5098 15:29:55 -305.786088 2.351577 BFGS: 5099 15:29:55 84.378252 25.070992 BFGS: 5100 15:29:56 -305.791566 2.348076 BFGS: 5101 15:29:56 83.909966 25.008821 BFGS: 5102 15:29:57 -305.792029 2.347783 BFGS: 5103 15:29:57 -305.792448 2.347516 BFGS: 5104 15:29:57 84.827571 25.134513 BFGS: 5105 15:29:58 83.959277 25.015758 BFGS: 5106 15:29:58 -305.701602 2.404290 BFGS: 5107 15:29:59 -305.711339 2.398304 BFGS: 5108 15:29:59 84.027382 25.024922 BFGS: 5109 15:30:00 -305.720777 2.392480 BFGS: 5110 15:30:00 -305.729263 2.387222 BFGS: 5111 15:30:00 84.187612 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15:30:50 -305.761995 2.366457 BFGS: 5235 15:30:51 -305.765136 2.364566 BFGS: 5236 15:30:51 83.904103 25.011484 BFGS: 5237 15:30:51 -305.768100 2.362780 BFGS: 5238 15:30:52 -305.770766 2.361166 BFGS: 5239 15:30:52 83.946786 25.018596 BFGS: 5240 15:30:53 -305.773584 2.359457 BFGS: 5241 15:30:53 -305.776120 2.357912 BFGS: 5242 15:30:53 83.991704 25.026002 BFGS: 5243 15:30:54 -305.778837 2.356254 BFGS: 5244 15:30:54 -305.781284 2.354753 BFGS: 5245 15:30:55 84.039352 25.033774 BFGS: 5246 15:30:55 -305.783941 2.353119 BFGS: 5247 15:30:55 -305.786336 2.351639 BFGS: 5248 15:30:55 84.090354 25.042000 BFGS: 5249 15:30:55 -305.788974 2.350005 BFGS: 5250 15:30:55 -305.791353 2.348524 BFGS: 5251 15:30:55 84.145488 25.050791 BFGS: 5252 15:30:56 83.884863 25.008735 BFGS: 5253 15:30:56 -305.764366 2.365063 BFGS: 5254 15:30:56 -305.767218 2.363346 BFGS: 5255 15:30:57 83.899566 25.011374 BFGS: 5256 15:30:57 -305.769931 2.361711 BFGS: 5257 15:30:57 -305.772372 2.360233 BFGS: 5258 15:30:58 83.940986 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2.374608 BFGS: 5357 15:31:29 84.061859 25.036648 BFGS: 5358 15:31:29 -305.755872 2.370990 BFGS: 5359 15:31:30 -305.761121 2.367715 BFGS: 5360 15:31:30 84.169757 25.052981 BFGS: 5361 15:31:30 -305.766874 2.364114 BFGS: 5362 15:31:31 -305.772067 2.360852 BFGS: 5363 15:31:31 84.284781 25.070308 BFGS: 5364 15:31:31 -305.777827 2.357222 BFGS: 5365 15:31:32 -305.783031 2.353931 BFGS: 5366 15:31:32 84.408593 25.088869 BFGS: 5367 15:31:33 -305.788872 2.350224 BFGS: 5368 15:31:33 83.886453 25.010032 BFGS: 5369 15:31:33 -305.789358 2.349916 BFGS: 5370 15:31:34 -305.789798 2.349635 BFGS: 5371 15:31:34 84.763845 25.139993 BFGS: 5372 15:31:35 83.926953 25.015896 BFGS: 5373 15:31:35 -305.703681 2.403480 BFGS: 5374 15:31:36 -305.712734 2.397921 BFGS: 5375 15:31:36 83.990084 25.025414 BFGS: 5376 15:31:37 -305.721498 2.392521 BFGS: 5377 15:31:37 -305.729392 2.387637 BFGS: 5378 15:31:38 84.139153 25.047632 BFGS: 5379 15:31:39 -305.737934 2.382333 BFGS: 5380 15:31:39 -305.745632 2.377532 BFGS: 5381 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2.775631 BFGS: 5504 15:32:32 87.674472 25.551882 BFGS: 5505 15:32:32 -305.171324 2.708293 BFGS: 5506 15:32:33 -305.282807 2.648657 BFGS: 5507 15:32:33 89.843119 25.862136 BFGS: 5508 15:32:34 -305.401087 2.583209 BFGS: 5509 15:32:34 -305.502853 2.524959 BFGS: 5510 15:32:34 92.198553 26.199171 BFGS: 5511 15:32:35 -305.612434 2.460057 BFGS: 5512 15:32:35 -305.707079 2.402032 BFGS: 5513 15:32:36 94.848016 26.578356 BFGS: 5514 15:32:36 84.049829 25.033612 BFGS: 5515 15:32:36 -304.435966 3.060895 BFGS: 5516 15:32:37 -304.613933 2.981277 BFGS: 5517 15:32:37 84.958947 25.163715 BFGS: 5518 15:32:38 -304.775944 2.905868 BFGS: 5519 15:32:38 -304.913100 2.839643 BFGS: 5520 15:32:39 87.128175 25.473905 BFGS: 5521 15:32:39 -305.056094 2.768071 BFGS: 5522 15:32:39 -305.177965 2.704855 BFGS: 5523 15:32:40 89.392855 25.797829 BFGS: 5524 15:32:40 -305.306747 2.635648 BFGS: 5525 15:32:41 -305.417113 2.574200 BFGS: 5526 15:32:41 91.835234 26.147250 BFGS: 5527 15:32:41 -305.535449 2.505930 BFGS: 5528 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15:33:03 -304.890730 2.851087 BFGS: 5578 15:33:03 -305.223288 2.681054 BFGS: 5579 15:33:04 115.524829 29.539483 BFGS: 5580 15:33:04 -305.560747 2.491082 BFGS: 5581 15:33:04 84.233989 25.060209 BFGS: 5582 15:33:05 -305.587466 2.475160 BFGS: 5583 15:33:05 -305.611323 2.460822 BFGS: 5584 15:33:06 125.813654 31.017001 BFGS: 5585 15:33:07 85.195690 25.197033 BFGS: 5586 15:33:08 -300.135569 4.400942 BFGS: 5587 15:33:08 -301.275889 4.121412 BFGS: 5588 15:33:08 91.599230 26.110456 BFGS: 5589 15:33:09 -302.253143 3.847613 BFGS: 5590 15:33:09 -302.991136 3.614002 BFGS: 5591 15:33:10 102.743217 27.703725 BFGS: 5592 15:33:10 -303.715173 3.355954 BFGS: 5593 15:33:11 -304.269913 3.133544 BFGS: 5594 15:33:11 112.825677 29.149019 BFGS: 5595 15:33:11 -304.798085 2.895981 BFGS: 5596 15:33:11 -305.207573 2.689480 BFGS: 5597 15:33:12 121.817449 30.440651 BFGS: 5598 15:33:12 -305.587644 2.475053 BFGS: 5599 15:33:12 84.800199 25.140564 BFGS: 5600 15:33:13 -305.617132 2.457313 BFGS: 5601 15:33:13 -305.643448 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15:33:24 -303.015267 3.606621 BFGS: 5627 15:33:24 103.253045 27.772039 BFGS: 5628 15:33:25 -303.740038 3.346952 BFGS: 5629 15:33:25 -304.295052 3.123137 BFGS: 5630 15:33:25 113.397775 29.224325 BFGS: 5631 15:33:26 -304.822612 2.884341 BFGS: 5632 15:33:26 -305.231392 2.676773 BFGS: 5633 15:33:27 122.432099 30.520397 BFGS: 5634 15:33:27 -305.610131 2.461508 BFGS: 5635 15:33:27 85.016905 25.170335 BFGS: 5636 15:33:28 -305.639335 2.443803 BFGS: 5637 15:33:28 -305.665412 2.427844 BFGS: 5638 15:33:28 115.105595 29.466820 BFGS: 5639 15:33:29 85.066839 25.177286 BFGS: 5640 15:33:29 -302.157720 3.877411 BFGS: 5641 15:33:29 -302.801344 3.677730 BFGS: 5642 15:33:30 88.939281 25.728218 BFGS: 5643 15:33:30 -303.369858 3.483878 BFGS: 5644 15:33:30 -303.816873 3.317565 BFGS: 5645 15:33:31 95.648094 26.684056 BFGS: 5646 15:33:31 -304.264475 3.136242 BFGS: 5647 15:33:32 -304.621021 2.979099 BFGS: 5648 15:33:32 101.220928 27.479228 BFGS: 5649 15:33:32 -304.966759 2.813717 BFGS: 5650 15:33:32 -305.245720 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26.734324 BFGS: 5700 15:33:51 -305.526625 2.511131 BFGS: 5701 15:33:51 -305.665779 2.427538 BFGS: 5702 15:33:52 98.570786 27.097395 BFGS: 5703 15:33:52 83.983325 25.021922 BFGS: 5704 15:33:52 -304.007582 3.242507 BFGS: 5705 15:33:53 -304.256591 3.139750 BFGS: 5706 15:33:53 85.663181 25.260420 BFGS: 5707 15:33:53 -304.486789 3.039848 BFGS: 5708 15:33:54 -304.678358 2.952704 BFGS: 5709 15:33:54 88.799932 25.706094 BFGS: 5710 15:33:54 -304.878338 2.857413 BFGS: 5711 15:33:55 -305.046072 2.773711 BFGS: 5712 15:33:55 91.689065 26.116886 BFGS: 5713 15:33:55 -305.218985 2.683408 BFGS: 5714 15:33:56 -305.365109 2.603567 BFGS: 5715 15:33:56 94.326119 26.492069 BFGS: 5716 15:33:57 -305.514021 2.518503 BFGS: 5717 15:33:57 -305.640771 2.442834 BFGS: 5718 15:33:58 96.712259 26.831728 BFGS: 5719 15:33:58 -305.768595 2.363142 BFGS: 5720 15:33:58 84.727037 25.127229 BFGS: 5721 15:33:59 -305.778810 2.356617 BFGS: 5722 15:33:59 -305.788038 2.350700 BFGS: 5723 15:34:00 97.321202 26.918090 BFGS: 5724 15:34:00 84.943425 25.157916 BFGS: 5725 15:34:00 -304.436296 3.062279 BFGS: 5726 15:34:01 -304.626385 2.976800 BFGS: 5727 15:34:01 86.265962 25.345609 BFGS: 5728 15:34:02 -304.803279 2.893783 BFGS: 5729 15:34:02 -304.952518 2.820888 BFGS: 5730 15:34:03 88.798313 25.705245 BFGS: 5731 15:34:03 -305.108697 2.741531 BFGS: 5732 15:34:03 -305.241347 2.671429 BFGS: 5733 15:34:04 91.166890 26.041819 BFGS: 5734 15:34:04 -305.378946 2.595838 BFGS: 5735 15:34:05 -305.496564 2.528684 BFGS: 5736 15:34:05 93.373643 26.355562 BFGS: 5737 15:34:05 -305.617583 2.456910 BFGS: 5738 15:34:06 -305.721660 2.392808 BFGS: 5739 15:34:06 95.422392 26.646975 BFGS: 5740 15:34:06 84.220713 25.055092 BFGS: 5741 15:34:07 -304.481809 3.042181 BFGS: 5742 15:34:07 -304.654639 2.963801 BFGS: 5743 15:34:07 85.430241 25.226656 BFGS: 5744 15:34:07 -304.816312 2.887546 BFGS: 5745 15:34:08 -304.953256 2.820535 BFGS: 5746 15:34:08 87.757712 25.557014 BFGS: 5747 15:34:08 -305.097475 2.747352 BFGS: 5748 15:34:09 -305.220398 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4.043441 BFGS: 7611 15:40:49 -302.377236 3.814389 BFGS: 7612 15:40:49 89.617789 25.827684 BFGS: 7613 15:40:49 -303.050388 3.597916 BFGS: 7614 15:40:50 -303.573614 3.412489 BFGS: 7615 15:40:50 97.286951 26.923564 BFGS: 7616 15:40:50 -304.091813 3.210658 BFGS: 7617 15:40:50 -304.500265 3.035996 BFGS: 7618 15:40:50 105.372597 28.081358 BFGS: 7619 15:40:50 -304.908109 2.844684 BFGS: 7620 15:40:50 -305.232541 2.677661 BFGS: 7621 15:40:51 114.713893 29.421833 BFGS: 7622 15:40:51 -305.560712 2.492016 BFGS: 7623 15:40:51 84.162805 25.049682 BFGS: 7624 15:40:51 -305.586677 2.476489 BFGS: 7625 15:40:51 -305.609875 2.462502 BFGS: 7626 15:40:51 125.899896 31.028981 BFGS: 7627 15:40:51 85.164828 25.192233 BFGS: 7628 15:40:51 -300.161655 4.401012 BFGS: 7629 15:40:52 -301.290734 4.122999 BFGS: 7630 15:40:52 91.536370 26.100853 BFGS: 7631 15:40:52 -302.259432 3.850604 BFGS: 7632 15:40:52 -302.992090 3.617990 BFGS: 7633 15:40:52 102.632588 27.687085 BFGS: 7634 15:40:52 -303.711243 3.361080 BFGS: 7635 15:40:52 -304.262979 3.139491 BFGS: 7636 15:40:52 112.677633 29.127049 BFGS: 7637 15:40:52 -304.788674 2.902772 BFGS: 7638 15:40:53 -305.196731 2.696876 BFGS: 7639 15:40:53 121.642004 30.414946 BFGS: 7640 15:40:53 -305.575812 2.483005 BFGS: 7641 15:40:53 84.671655 25.121908 BFGS: 7642 15:40:53 -305.605231 2.465312 BFGS: 7643 15:40:53 -305.631489 2.449370 BFGS: 7644 15:40:53 125.830592 31.015278 BFGS: 7645 15:40:53 85.338891 25.216726 BFGS: 7646 15:40:53 -300.170347 4.399820 BFGS: 7647 15:40:53 -301.300955 4.120933 BFGS: 7648 15:40:53 91.732493 26.127931 BFGS: 7649 15:40:54 -302.270608 3.847712 BFGS: 7650 15:40:54 -303.003858 3.614379 BFGS: 7651 15:40:54 102.862745 27.718110 BFGS: 7652 15:40:54 -303.723111 3.356787 BFGS: 7653 15:40:54 -304.274815 3.134603 BFGS: 7654 15:40:54 112.933813 29.160976 BFGS: 7655 15:40:54 -304.800097 2.897367 BFGS: 7656 15:40:54 -305.207742 2.691021 BFGS: 7657 15:40:54 121.915947 30.450707 BFGS: 7658 15:40:54 -305.586147 2.476802 BFGS: 7659 15:40:55 84.770752 25.135628 BFGS: 7660 15:40:55 -305.615431 2.459127 BFGS: 7661 15:40:55 -305.641576 2.443199 BFGS: 7662 15:40:55 125.801713 31.007280 BFGS: 7663 15:40:55 85.421359 25.228040 BFGS: 7664 15:40:55 -300.162009 4.402466 BFGS: 7665 15:40:55 -301.296602 4.122638 BFGS: 7666 15:40:55 91.841252 26.142416 BFGS: 7667 15:40:55 -302.269350 3.848499 BFGS: 7668 15:40:55 -303.004710 3.614390 BFGS: 7669 15:40:56 103.012871 27.737556 BFGS: 7670 15:40:56 -303.725712 3.355986 BFGS: 7671 15:40:56 -304.278584 3.133112 BFGS: 7672 15:40:56 113.117487 29.184380 BFGS: 7673 15:40:56 -304.804696 2.895208 BFGS: 7674 15:40:56 -305.212855 2.688294 BFGS: 7675 15:40:56 122.124716 30.476982 BFGS: 7676 15:40:56 -305.591503 2.473565 BFGS: 7677 15:40:56 84.826213 25.143027 BFGS: 7678 15:40:56 -305.620758 2.455875 BFGS: 7679 15:40:56 -305.646881 2.439930 BFGS: 7680 15:40:57 125.789099 31.001704 BFGS: 7681 15:40:57 85.465432 25.233793 BFGS: 7682 15:40:57 -300.561025 4.308883 BFGS: 7683 15:40:57 -301.594433 4.042891 BFGS: 7684 15:40:57 91.267491 26.059599 BFGS: 7685 15:40:57 -302.482786 3.783524 BFGS: 7686 15:40:57 -303.159018 3.561963 BFGS: 7687 15:40:57 101.082858 27.459756 BFGS: 7688 15:40:57 -303.819299 3.320079 BFGS: 7689 15:40:57 -304.329551 3.111356 BFGS: 7690 15:40:57 108.843670 28.569365 BFGS: 7691 15:40:58 -304.806539 2.894356 BFGS: 7692 15:40:58 -305.180734 2.705418 BFGS: 7693 15:40:58 114.439012 29.370539 BFGS: 7694 15:40:58 -305.518317 2.517053 BFGS: 7695 15:40:58 -305.787316 2.351644 BFGS: 7696 15:40:58 118.019592 29.883512 BFGS: 7697 15:40:58 86.246653 25.344418 BFGS: 7698 15:40:58 -302.180439 3.875620 BFGS: 7699 15:40:58 -302.838884 3.669912 BFGS: 7700 15:40:58 90.244663 25.913232 BFGS: 7701 15:40:58 -303.418167 3.470463 BFGS: 7702 15:40:59 -303.873096 3.299116 BFGS: 7703 15:40:59 97.202663 26.904743 BFGS: 7704 15:40:59 -304.326125 3.112864 BFGS: 7705 15:40:59 -304.686523 2.951259 BFGS: 7706 15:40:59 102.988836 27.730628 BFGS: 7707 15:40:59 -305.034235 2.781620 BFGS: 7708 15:40:59 -305.314380 2.633101 BFGS: 7709 15:40:59 107.550347 28.382465 BFGS: 7710 15:40:59 -305.577457 2.481955 BFGS: 7711 15:40:59 -305.792126 2.348519 BFGS: 7712 15:40:59 110.933635 28.866238 BFGS: 7713 15:41:00 85.881872 25.292140 BFGS: 7714 15:41:00 -302.973885 3.625229 BFGS: 7715 15:41:00 -303.452362 3.458157 BFGS: 7716 15:41:00 88.929671 25.725506 BFGS: 7717 15:41:00 -303.880692 3.296193 BFGS: 7718 15:41:00 -304.224190 3.156339 BFGS: 7719 15:41:00 94.356164 26.498057 BFGS: 7720 15:41:00 -304.571749 3.004194 BFGS: 7721 15:41:00 -304.853607 2.871603 BFGS: 7722 15:41:00 99.044040 27.166326 BFGS: 7723 15:41:00 -305.131932 2.731139 BFGS: 7724 15:41:01 -305.360109 2.607694 BFGS: 7725 15:41:01 102.962374 27.725446 BFGS: 7726 15:41:01 -305.580652 2.480024 BFGS: 7727 15:41:01 -305.763400 2.366948 BFGS: 7728 15:41:01 106.124529 28.176958 BFGS: 7729 15:41:01 85.329642 25.213310 BFGS: 7730 15:41:01 -303.426794 3.467522 BFGS: 7731 15:41:01 -303.804210 3.326134 BFGS: 7732 15:41:01 87.811537 25.566008 BFGS: 7733 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2.558956 BFGS: 8003 15:41:25 93.650960 26.393528 BFGS: 8004 15:41:25 -305.575979 2.482743 BFGS: 8005 15:41:25 -305.687391 2.414747 BFGS: 8006 15:41:25 96.029421 26.731952 BFGS: 8007 15:41:25 83.958687 25.016749 BFGS: 8008 15:41:26 -304.341743 3.106429 BFGS: 8009 15:41:26 -304.533011 3.021945 BFGS: 8010 15:41:26 85.408920 25.222476 BFGS: 8011 15:41:26 -304.713084 2.938982 BFGS: 8012 15:41:26 -304.864892 2.866213 BFGS: 8013 15:41:26 88.102817 25.604880 BFGS: 8014 15:41:26 -305.025948 2.785911 BFGS: 8015 15:41:26 -305.162568 2.715055 BFGS: 8016 15:41:27 90.679906 25.970982 BFGS: 8017 15:41:27 -305.306257 2.637560 BFGS: 8018 15:41:27 -305.428864 2.568795 BFGS: 8019 15:41:27 93.137699 26.320385 BFGS: 8020 15:41:27 -305.556753 2.494225 BFGS: 8021 15:41:27 -305.666488 2.427704 BFGS: 8022 15:41:27 95.474542 26.652816 BFGS: 8023 15:41:27 -305.780057 2.356149 BFGS: 8024 15:41:27 84.722204 25.125025 BFGS: 8025 15:41:28 -305.789117 2.350316 BFGS: 8026 15:41:28 83.908617 25.009634 BFGS: 8027 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2.462281 BFGS: 8101 15:41:35 87.329605 25.502997 BFGS: 8102 15:41:35 -305.661133 2.431141 BFGS: 8103 15:41:35 -305.706346 2.403105 BFGS: 8104 15:41:35 88.373899 25.652740 BFGS: 8105 15:41:35 -305.755735 2.371956 BFGS: 8106 15:41:35 83.930717 25.015546 BFGS: 8107 15:41:35 -305.759797 2.369369 BFGS: 8108 15:41:35 -305.763477 2.367021 BFGS: 8109 15:41:36 90.100273 25.899355 BFGS: 8110 15:41:36 84.144746 25.046101 BFGS: 8111 15:41:36 -305.111159 2.741288 BFGS: 8112 15:41:36 -305.190892 2.699457 BFGS: 8113 15:41:36 84.565526 25.106579 BFGS: 8114 15:41:36 -305.265058 2.659687 BFGS: 8115 15:41:36 -305.329776 2.624266 BFGS: 8116 15:41:36 85.626098 25.258641 BFGS: 8117 15:41:36 -305.397848 2.586258 BFGS: 8118 15:41:36 -305.457482 2.552294 BFGS: 8119 15:41:37 86.725715 25.416268 BFGS: 8120 15:41:37 -305.520977 2.515414 BFGS: 8121 15:41:37 -305.576790 2.482356 BFGS: 8122 15:41:37 87.887637 25.582784 BFGS: 8123 15:41:37 -305.636970 2.446007 BFGS: 8124 15:41:37 -305.690022 2.413330 BFGS: 8125 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15:41:52 -300.168333 4.400989 BFGS: 8273 15:41:52 -301.295893 4.122989 BFGS: 8274 15:41:53 91.579822 26.107035 BFGS: 8275 15:41:53 -302.263391 3.850594 BFGS: 8276 15:41:53 -302.995306 3.617941 BFGS: 8277 15:41:53 102.678833 27.693330 BFGS: 8278 15:41:53 -303.713661 3.361021 BFGS: 8279 15:41:53 -304.264885 3.139392 BFGS: 8280 15:41:53 112.726424 29.133386 BFGS: 8281 15:41:53 -304.790057 2.902655 BFGS: 8282 15:41:53 -305.197767 2.696720 BFGS: 8283 15:41:53 121.692929 30.421374 BFGS: 8284 15:41:54 -305.576505 2.482827 BFGS: 8285 15:41:54 84.675022 25.122540 BFGS: 8286 15:41:54 -305.605874 2.465146 BFGS: 8287 15:41:54 -305.632090 2.449214 BFGS: 8288 15:41:54 125.845840 31.016268 BFGS: 8289 15:41:54 85.340096 25.217012 BFGS: 8290 15:41:54 -300.167353 4.402048 BFGS: 8291 15:41:54 -301.298071 4.123057 BFGS: 8292 15:41:54 91.739833 26.128804 BFGS: 8293 15:41:54 -302.267916 3.849706 BFGS: 8294 15:41:55 -303.001406 3.616235 BFGS: 8295 15:41:55 102.880365 27.720018 BFGS: 8296 15:41:55 -303.720886 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15:41:57 84.805217 25.140004 BFGS: 8322 15:41:57 -305.618560 2.457416 BFGS: 8323 15:41:57 -305.644707 2.441456 BFGS: 8324 15:41:57 118.109022 29.896924 BFGS: 8325 15:41:57 85.040730 25.173352 BFGS: 8326 15:41:57 -301.766690 3.996305 BFGS: 8327 15:41:57 -302.497104 3.780186 BFGS: 8328 15:41:58 89.304215 25.779738 BFGS: 8329 15:41:58 -303.137123 3.570498 BFGS: 8330 15:41:58 -303.636502 3.390799 BFGS: 8331 15:41:58 96.716833 26.835827 BFGS: 8332 15:41:58 -304.133516 3.194843 BFGS: 8333 15:41:58 -304.526600 3.025192 BFGS: 8334 15:41:58 102.852992 27.711620 BFGS: 8335 15:41:58 -304.904987 2.846909 BFGS: 8336 15:41:58 -305.208249 2.691137 BFGS: 8337 15:41:58 107.653067 28.397576 BFGS: 8338 15:41:58 -305.492027 2.532696 BFGS: 8339 15:41:58 -305.722511 2.393077 BFGS: 8340 15:41:59 111.171849 28.900769 BFGS: 8341 15:41:59 85.291696 25.208586 BFGS: 8342 15:41:59 -302.758113 3.697322 BFGS: 8343 15:41:59 -303.271681 3.523683 BFGS: 8344 15:41:59 88.458563 25.658800 BFGS: 8345 15:41:59 -303.729673 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15:42:01 -305.531607 2.509440 BFGS: 8371 15:42:01 -305.697779 2.408548 BFGS: 8372 15:42:01 102.639316 27.678219 BFGS: 8373 15:42:01 84.526906 25.099224 BFGS: 8374 15:42:01 -303.642584 3.388721 BFGS: 8375 15:42:02 -303.965506 3.263370 BFGS: 8376 15:42:02 86.648374 25.400500 BFGS: 8377 15:42:02 -304.260437 3.141728 BFGS: 8378 15:42:02 -304.502629 3.036035 BFGS: 8379 15:42:02 90.558355 25.956295 BFGS: 8380 15:42:02 -304.752688 2.920668 BFGS: 8381 15:42:02 -304.959909 2.819633 BFGS: 8382 15:42:02 94.092952 26.459224 BFGS: 8383 15:42:02 -305.170455 2.711246 BFGS: 8384 15:42:02 -305.346459 2.615625 BFGS: 8385 15:42:02 97.242395 26.907715 BFGS: 8386 15:42:02 -305.522709 2.514673 BFGS: 8387 15:42:03 -305.671281 2.425004 BFGS: 8388 15:42:03 100.008932 27.301934 BFGS: 8389 15:42:03 84.115321 25.040503 BFGS: 8390 15:42:03 -303.867082 3.302452 BFGS: 8391 15:42:03 -304.142239 3.191402 BFGS: 8392 15:42:03 85.959491 25.302276 BFGS: 8393 15:42:03 -304.395558 3.083482 BFGS: 8394 15:42:03 -304.605387 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15:42:05 -305.017052 2.790909 BFGS: 8420 15:42:05 -305.173015 2.709956 BFGS: 8421 15:42:06 92.551064 26.238543 BFGS: 8422 15:42:06 -305.333662 2.622786 BFGS: 8423 15:42:06 -305.469980 2.545479 BFGS: 8424 15:42:06 95.126214 26.604875 BFGS: 8425 15:42:06 -305.609001 2.463133 BFGS: 8426 15:42:06 -305.727765 2.389678 BFGS: 8427 15:42:06 97.486939 26.940902 BFGS: 8428 15:42:06 84.413803 25.082373 BFGS: 8429 15:42:06 -304.279413 3.133888 BFGS: 8430 15:42:06 -304.487308 3.043092 BFGS: 8431 15:42:06 85.866599 25.288475 BFGS: 8432 15:42:06 -304.680707 2.954741 BFGS: 8433 15:42:07 -304.843208 2.877312 BFGS: 8434 15:42:07 88.624986 25.680090 BFGS: 8435 15:42:07 -305.013561 2.792692 BFGS: 8436 15:42:07 -305.157693 2.718068 BFGS: 8437 15:42:07 91.215189 26.048095 BFGS: 8438 15:42:07 -305.307403 2.637313 BFGS: 8439 15:42:07 -305.434903 2.565677 BFGS: 8440 15:42:07 93.638263 26.392583 BFGS: 8441 15:42:07 -305.566214 2.488867 BFGS: 8442 15:42:07 -305.678742 2.420351 BFGS: 8443 15:42:07 95.897084 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15:42:10 -304.477106 3.047693 BFGS: 8469 15:42:10 -304.657323 2.965674 BFGS: 8470 15:42:10 86.064136 25.316064 BFGS: 8471 15:42:10 -304.825986 2.885694 BFGS: 8472 15:42:10 -304.968669 2.815374 BFGS: 8473 15:42:10 88.559170 25.670201 BFGS: 8474 15:42:10 -305.118854 2.738478 BFGS: 8475 15:42:10 -305.246702 2.670480 BFGS: 8476 15:42:10 90.928790 26.006767 BFGS: 8477 15:42:10 -305.380259 2.596717 BFGS: 8478 15:42:10 -305.494627 2.531133 BFGS: 8479 15:42:10 93.175313 26.326050 BFGS: 8480 15:42:11 -305.613262 2.460523 BFGS: 8481 15:42:11 -305.715422 2.397419 BFGS: 8482 15:42:11 95.301773 26.628448 BFGS: 8483 15:42:11 84.140729 25.043103 BFGS: 8484 15:42:11 -304.484510 3.044416 BFGS: 8485 15:42:11 -304.655214 2.966675 BFGS: 8486 15:42:11 85.379823 25.218783 BFGS: 8487 15:42:11 -304.815494 2.890782 BFGS: 8488 15:42:11 -304.951375 2.824047 BFGS: 8489 15:42:11 87.748064 25.554787 BFGS: 8490 15:42:11 -305.095020 2.750898 BFGS: 8491 15:42:12 -305.217530 2.686217 BFGS: 8492 15:42:12 90.011939 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15:42:14 -305.629685 2.450512 BFGS: 8518 15:42:14 -305.732664 2.386529 BFGS: 8519 15:42:14 95.729745 26.689210 BFGS: 8520 15:42:14 84.323192 25.068762 BFGS: 8521 15:42:14 -304.479823 3.046494 BFGS: 8522 15:42:14 -304.653750 2.967341 BFGS: 8523 15:42:14 85.614589 25.251896 BFGS: 8524 15:42:14 -304.817256 2.889918 BFGS: 8525 15:42:14 -304.955758 2.821843 BFGS: 8526 15:42:14 88.060927 25.599046 BFGS: 8527 15:42:15 -305.102290 2.747108 BFGS: 8528 15:42:15 -305.227159 2.681026 BFGS: 8529 15:42:15 90.402025 25.931492 BFGS: 8530 15:42:15 -305.358330 2.609019 BFGS: 8531 15:42:15 -305.470743 2.545009 BFGS: 8532 15:42:15 92.639703 26.249459 BFGS: 8533 15:42:15 -305.588039 2.475749 BFGS: 8534 15:42:15 -305.689100 2.413872 BFGS: 8535 15:42:15 94.776157 26.553230 BFGS: 8536 15:42:15 -305.793887 2.347361 BFGS: 8537 15:42:15 84.788881 25.134703 BFGS: 8538 15:42:16 83.955922 25.016592 BFGS: 8539 15:42:16 -304.516752 3.029997 BFGS: 8540 15:42:16 -304.679853 2.955224 BFGS: 8541 15:42:16 85.165470 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26.632474 BFGS: 8591 15:42:20 83.948165 25.015319 BFGS: 8592 15:42:20 -304.429508 3.068834 BFGS: 8593 15:42:20 -304.606318 2.989257 BFGS: 8594 15:42:21 85.277907 25.203883 BFGS: 8595 15:42:21 -304.772912 2.911231 BFGS: 8596 15:42:21 -304.913886 2.842685 BFGS: 8597 15:42:21 87.776907 25.558489 BFGS: 8598 15:42:21 -305.063512 2.767177 BFGS: 8599 15:42:21 -305.190882 2.700466 BFGS: 8600 15:42:21 90.176365 25.899216 BFGS: 8601 15:42:21 -305.325079 2.627537 BFGS: 8602 15:42:21 -305.439960 2.562757 BFGS: 8603 15:42:21 92.477017 26.226136 BFGS: 8604 15:42:21 -305.560157 2.492448 BFGS: 8605 15:42:22 -305.663601 2.429679 BFGS: 8606 15:42:22 94.679931 26.539370 BFGS: 8607 15:42:22 -305.771118 2.362017 BFGS: 8608 15:42:22 84.579236 25.104755 BFGS: 8609 15:42:22 -305.779729 2.356486 BFGS: 8610 15:42:22 -305.787518 2.351467 BFGS: 8611 15:42:22 98.540743 27.090045 BFGS: 8612 15:42:22 85.014242 25.166556 BFGS: 8613 15:42:22 -304.313070 3.119456 BFGS: 8614 15:42:22 -304.523728 3.026739 BFGS: 8615 15:42:22 86.628629 25.395698 BFGS: 8616 15:42:23 -304.721072 2.935774 BFGS: 8617 15:42:23 -304.886751 2.856010 BFGS: 8618 15:42:23 89.604903 25.818445 BFGS: 8619 15:42:23 -305.061332 2.768254 BFGS: 8620 15:42:23 -305.208873 2.690817 BFGS: 8621 15:42:23 92.426500 26.219556 BFGS: 8622 15:42:23 -305.362745 2.606522 BFGS: 8623 15:42:23 -305.493604 2.531697 BFGS: 8624 15:42:23 95.087625 26.598143 BFGS: 8625 15:42:23 -305.628755 2.451063 BFGS: 8626 15:42:23 -305.744379 2.379088 BFGS: 8627 15:42:24 97.584414 26.953598 BFGS: 8628 15:42:24 84.564840 25.102753 BFGS: 8629 15:42:24 -304.311097 3.120332 BFGS: 8630 15:42:24 -304.515813 3.030325 BFGS: 8631 15:42:24 86.125625 25.324232 BFGS: 8632 15:42:24 -304.707927 2.941985 BFGS: 8633 15:42:24 -304.869417 2.864527 BFGS: 8634 15:42:24 89.010898 25.733948 BFGS: 8635 15:42:24 -305.040031 2.779192 BFGS: 8636 15:42:24 -305.184381 2.703903 BFGS: 8637 15:42:24 91.756133 26.124097 BFGS: 8638 15:42:25 -305.335412 2.621785 BFGS: 8639 15:42:25 -305.463980 2.548910 BFGS: 8640 15:42:25 94.356857 26.493986 BFGS: 8641 15:42:25 -305.597266 2.470177 BFGS: 8642 15:42:25 -305.711391 2.399922 BFGS: 8643 15:42:25 96.810049 26.843134 BFGS: 8644 15:42:25 84.220555 25.053880 BFGS: 8645 15:42:25 -304.315336 3.118534 BFGS: 8646 15:42:25 -304.514511 3.030932 BFGS: 8647 15:42:25 85.733186 25.268482 BFGS: 8648 15:42:25 -304.701698 2.944930 BFGS: 8649 15:42:26 -304.859234 2.869518 BFGS: 8650 15:42:26 88.536579 25.666485 BFGS: 8651 15:42:26 -305.026021 2.786356 BFGS: 8652 15:42:26 -305.167284 2.712988 BFGS: 8653 15:42:26 91.211936 26.046614 BFGS: 8654 15:42:26 -305.315473 2.632842 BFGS: 8655 15:42:26 -305.441744 2.561727 BFGS: 8656 15:42:26 93.755933 26.408347 BFGS: 8657 15:42:26 -305.573055 2.484738 BFGS: 8658 15:42:26 -305.685583 2.416054 BFGS: 8659 15:42:26 96.166344 26.751322 BFGS: 8660 15:42:27 83.949737 25.015440 BFGS: 8661 15:42:27 -304.323426 3.115072 BFGS: 8662 15:42:27 -304.517446 3.029632 BFGS: 8663 15:42:27 85.418857 25.223832 BFGS: 8664 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2.678576 BFGS: 8689 15:42:29 86.118225 25.326363 BFGS: 8690 15:42:29 -305.316346 2.631711 BFGS: 8691 15:42:29 -305.391305 2.589956 BFGS: 8692 15:42:29 87.310230 25.497201 BFGS: 8693 15:42:30 -305.468939 2.545683 BFGS: 8694 15:42:30 -305.536778 2.506086 BFGS: 8695 15:42:30 88.536035 25.672869 BFGS: 8696 15:42:30 -305.607900 2.463613 BFGS: 8697 15:42:30 -305.670300 2.425493 BFGS: 8698 15:42:30 89.822975 25.857272 BFGS: 8699 15:42:30 -305.736550 2.384095 BFGS: 8700 15:42:30 83.881997 25.006718 BFGS: 8701 15:42:30 -305.741992 2.380653 BFGS: 8702 15:42:30 -305.746916 2.377531 BFGS: 8703 15:42:30 89.818422 25.857215 BFGS: 8704 15:42:31 83.972685 25.019752 BFGS: 8705 15:42:31 -305.102745 2.745690 BFGS: 8706 15:42:31 -305.181572 2.704432 BFGS: 8707 15:42:31 84.278153 25.063827 BFGS: 8708 15:42:31 -305.253681 2.665877 BFGS: 8709 15:42:31 -305.316641 2.631542 BFGS: 8710 15:42:31 85.194387 25.195341 BFGS: 8711 15:42:31 -305.381758 2.595345 BFGS: 8712 15:42:31 -305.438851 2.563003 BFGS: 8713 15:42:31 86.124900 25.328882 BFGS: 8714 15:42:31 -305.498598 2.528529 BFGS: 8715 15:42:31 -305.551175 2.497632 BFGS: 8716 15:42:32 87.086488 25.466846 BFGS: 8717 15:42:32 -305.606861 2.464313 BFGS: 8718 15:42:32 -305.656022 2.434367 BFGS: 8719 15:42:32 88.097777 25.611892 BFGS: 8720 15:42:32 -305.708739 2.401677 BFGS: 8721 15:42:32 -305.755406 2.372216 BFGS: 8722 15:42:32 89.180751 25.767162 BFGS: 8723 15:42:32 83.993765 25.023577 BFGS: 8724 15:42:32 -305.190250 2.699872 BFGS: 8725 15:42:32 -305.258009 2.663580 BFGS: 8726 15:42:32 84.302196 25.068059 BFGS: 8727 15:42:32 -305.320706 2.629355 BFGS: 8728 15:42:33 -305.375673 2.598812 BFGS: 8729 15:42:33 85.154194 25.190407 BFGS: 8730 15:42:33 -305.433085 2.566356 BFGS: 8731 15:42:33 -305.483601 2.537306 BFGS: 8732 15:42:33 86.028415 25.315912 BFGS: 8733 15:42:33 -305.536990 2.506084 BFGS: 8734 15:42:33 -305.584116 2.478062 BFGS: 8735 15:42:33 86.940418 25.446793 BFGS: 8736 15:42:33 -305.634529 2.447586 BFGS: 8737 15:42:33 -305.679150 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2.665017 BFGS: 8787 15:42:38 -305.324942 2.627397 BFGS: 8788 15:42:38 86.004268 25.312899 BFGS: 8789 15:42:38 -305.397543 2.586844 BFGS: 8790 15:42:38 -305.461048 2.550614 BFGS: 8791 15:42:38 87.218286 25.486817 BFGS: 8792 15:42:38 -305.528885 2.511093 BFGS: 8793 15:42:38 -305.588427 2.475669 BFGS: 8794 15:42:38 88.508627 25.671632 BFGS: 8795 15:42:38 -305.652839 2.436537 BFGS: 8796 15:42:38 -305.709539 2.401354 BFGS: 8797 15:42:38 89.909121 25.872180 BFGS: 8798 15:42:39 -305.771687 2.361959 BFGS: 8799 15:42:39 84.199015 25.054404 BFGS: 8800 15:42:39 -305.776746 2.358713 BFGS: 8801 15:42:39 -305.781329 2.355766 BFGS: 8802 15:42:39 93.669853 26.409116 BFGS: 8803 15:42:39 84.588408 25.109893 BFGS: 8804 15:42:39 -304.760901 2.916171 BFGS: 8805 15:42:39 -304.895073 2.851393 BFGS: 8806 15:42:39 85.328941 25.215911 BFGS: 8807 15:42:39 -305.018666 2.789725 BFGS: 8808 15:42:39 -305.124629 2.735210 BFGS: 8809 15:42:40 87.083922 25.466915 BFGS: 8810 15:42:40 -305.235608 2.676369 BFGS: 8811 15:42:40 -305.331282 2.624103 BFGS: 8812 15:42:40 88.910882 25.728255 BFGS: 8813 15:42:40 -305.432723 2.567019 BFGS: 8814 15:42:40 -305.520580 2.516089 BFGS: 8815 15:42:40 90.863320 26.007579 BFGS: 8816 15:42:40 -305.614953 2.459729 BFGS: 8817 15:42:40 -305.696996 2.409239 BFGS: 8818 15:42:40 93.009486 26.314655 BFGS: 8819 15:42:40 -305.786355 2.352546 BFGS: 8820 15:42:40 84.581216 25.109072 BFGS: 8821 15:42:41 -305.793522 2.347917 BFGS: 8822 15:42:41 83.933354 25.016530 BFGS: 8823 15:42:41 -305.794116 2.347533 BFGS: 8824 15:42:41 -305.794655 2.347184 BFGS: 8825 15:42:41 87.290849 25.488808 BFGS: 8826 15:42:41 84.183309 25.051548 BFGS: 8827 15:42:41 -305.472135 2.544874 BFGS: 8828 15:42:41 -305.508108 2.523869 BFGS: 8829 15:42:41 84.337304 25.072888 BFGS: 8830 15:42:41 -305.541646 2.504064 BFGS: 8831 15:42:41 -305.571485 2.486259 BFGS: 8832 15:42:41 84.787609 25.135892 BFGS: 8833 15:42:42 -305.602571 2.467521 BFGS: 8834 15:42:42 -305.630289 2.450646 BFGS: 8835 15:42:42 85.233789 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2.536828 BFGS: 9620 15:43:51 91.747740 26.133582 BFGS: 9621 15:43:52 -305.592669 2.473600 BFGS: 9622 15:43:52 -305.684954 2.417031 BFGS: 9623 15:43:52 94.193839 26.483505 BFGS: 9624 15:43:52 -305.785041 2.353558 BFGS: 9625 15:43:52 84.658261 25.120072 BFGS: 9626 15:43:52 -305.793025 2.348394 BFGS: 9627 15:43:52 83.933330 25.016586 BFGS: 9628 15:43:52 -305.793685 2.347966 BFGS: 9629 15:43:52 -305.794284 2.347577 BFGS: 9630 15:43:52 87.634785 25.537749 BFGS: 9631 15:43:52 84.206710 25.054931 BFGS: 9632 15:43:52 -305.438459 2.564845 BFGS: 9633 15:43:53 -305.478442 2.541692 BFGS: 9634 15:43:53 84.381253 25.079189 BFGS: 9635 15:43:53 -305.515697 2.519852 BFGS: 9636 15:43:53 -305.548784 2.500233 BFGS: 9637 15:43:53 84.881893 25.149339 BFGS: 9638 15:43:53 -305.583236 2.479576 BFGS: 9639 15:43:53 -305.613909 2.460982 BFGS: 9640 15:43:53 85.376184 25.218614 BFGS: 9641 15:43:53 -305.646044 2.441294 BFGS: 9642 15:43:53 -305.674717 2.423541 BFGS: 9643 15:43:53 85.868609 25.287651 BFGS: 9644 15:43:54 -305.704945 2.404631 BFGS: 9645 15:43:54 -305.731971 2.387551 BFGS: 9646 15:43:54 86.363460 25.357060 BFGS: 9647 15:43:54 -305.760646 2.369246 BFGS: 9648 15:43:54 -305.786330 2.352685 BFGS: 9649 15:43:54 86.864977 25.427446 BFGS: 9650 15:43:54 84.068032 25.034518 BFGS: 9651 15:43:54 -305.496765 2.530996 BFGS: 9652 15:43:54 -305.528771 2.512135 BFGS: 9653 15:43:54 84.223598 25.056083 BFGS: 9654 15:43:54 -305.558845 2.494232 BFGS: 9655 15:43:54 -305.585650 2.478122 BFGS: 9656 15:43:55 84.647866 25.115376 BFGS: 9657 15:43:55 -305.613783 2.461058 BFGS: 9658 15:43:55 -305.638907 2.445679 BFGS: 9659 15:43:55 85.071930 25.174664 BFGS: 9660 15:43:55 -305.665457 2.429282 BFGS: 9661 15:43:55 -305.689210 2.414481 BFGS: 9662 15:43:55 85.499465 25.234469 BFGS: 9663 15:43:55 -305.714486 2.398595 BFGS: 9664 15:43:55 -305.737136 2.384235 BFGS: 9665 15:43:55 85.934151 25.295315 BFGS: 9666 15:43:55 -305.761407 2.368716 BFGS: 9667 15:43:56 -305.783191 2.354668 BFGS: 9668 15:43:56 86.379784 25.357741 BFGS: 9669 15:43:56 83.997081 25.023802 BFGS: 9670 15:43:56 -305.537178 2.507159 BFGS: 9671 15:43:56 -305.564054 2.491121 BFGS: 9672 15:43:56 84.141086 25.043727 BFGS: 9673 15:43:56 -305.589490 2.475808 BFGS: 9674 15:43:56 -305.612218 2.462014 BFGS: 9675 15:43:56 84.515865 25.095989 BFGS: 9676 15:43:56 -305.636233 2.447320 BFGS: 9677 15:43:56 -305.657727 2.434065 BFGS: 9678 15:43:56 84.893952 25.148741 BFGS: 9679 15:43:57 -305.680605 2.419846 BFGS: 9680 15:43:57 -305.701111 2.407001 BFGS: 9681 15:43:57 85.278595 25.202446 BFGS: 9682 15:43:57 -305.723101 2.393122 BFGS: 9683 15:43:57 -305.742839 2.380570 BFGS: 9684 15:43:57 85.673167 25.257585 BFGS: 9685 15:43:57 -305.764162 2.366907 BFGS: 9686 15:43:57 -305.783326 2.354534 BFGS: 9687 15:43:57 86.081255 25.314668 BFGS: 9688 15:43:57 83.971859 25.019645 BFGS: 9689 15:43:57 -305.566144 2.489877 BFGS: 9690 15:43:57 -305.589667 2.475708 BFGS: 9691 15:43:58 84.109340 25.038647 BFGS: 9692 15:43:58 -305.612072 2.462107 BFGS: 9693 15:43:58 -305.632125 2.449843 BFGS: 9694 15:43:58 84.452542 25.086423 BFGS: 9695 15:43:58 -305.653440 2.436714 BFGS: 9696 15:43:58 -305.672544 2.424861 BFGS: 9697 15:43:58 84.801285 25.135007 BFGS: 9698 15:43:58 -305.693007 2.412076 BFGS: 9699 15:43:58 -305.711373 2.400521 BFGS: 9700 15:43:58 85.158607 25.184830 BFGS: 9701 15:43:58 -305.731196 2.387963 BFGS: 9702 15:43:59 -305.749008 2.376599 BFGS: 9703 15:43:59 85.527738 25.236352 BFGS: 9704 15:43:59 -305.768383 2.364154 BFGS: 9705 15:43:59 -305.785813 2.352880 BFGS: 9706 15:43:59 85.912193 25.290073 BFGS: 9707 15:43:59 83.979243 25.020176 BFGS: 9708 15:43:59 -305.587373 2.477103 BFGS: 9709 15:43:59 -305.608730 2.464147 BFGS: 9710 15:43:59 84.114011 25.038795 BFGS: 9711 15:43:59 -305.629184 2.451650 BFGS: 9712 15:43:59 -305.647511 2.440375 BFGS: 9713 15:43:59 84.438422 25.083905 BFGS: 9714 15:44:00 -305.667094 2.428247 BFGS: 9715 15:44:00 -305.684664 2.417293 BFGS: 9716 15:44:00 84.769983 25.130050 BFGS: 9717 15:44:00 -305.703585 2.405419 BFGS: 9718 15:44:00 -305.720582 2.394682 BFGS: 9719 15:44:00 85.111650 25.177650 BFGS: 9720 15:44:00 -305.739030 2.382953 BFGS: 9721 15:44:00 -305.755621 2.372337 BFGS: 9722 15:44:00 85.466621 25.227161 BFGS: 9723 15:44:00 -305.773771 2.360647 BFGS: 9724 15:44:00 -305.790109 2.350056 BFGS: 9725 15:44:00 85.838431 25.279087 BFGS: 9726 15:44:01 84.011439 25.024281 BFGS: 9727 15:44:01 -305.603103 2.467575 BFGS: 9728 15:44:01 -305.623132 2.455360 BFGS: 9729 15:44:01 84.146657 25.042968 BFGS: 9730 15:44:01 -305.642408 2.443523 BFGS: 9731 15:44:01 -305.659694 2.432838 BFGS: 9732 15:44:01 84.462051 25.086800 BFGS: 9733 15:44:01 -305.678248 2.421297 BFGS: 9734 15:44:01 -305.694906 2.410868 BFGS: 9735 15:44:01 84.785916 25.131856 BFGS: 9736 15:44:01 -305.712930 2.399514 BFGS: 9737 15:44:02 -305.729130 2.389244 BFGS: 9738 15:44:02 85.121212 25.178554 BFGS: 9739 15:44:02 -305.746797 2.377975 BFGS: 9740 15:44:02 -305.762694 2.367770 BFGS: 9741 15:44:02 85.471186 25.227359 BFGS: 9742 15:44:02 -305.780169 2.356483 BFGS: 9743 15:44:02 83.889200 25.006953 BFGS: 9744 15:44:02 -305.781611 2.355550 BFGS: 9745 15:44:02 -305.782919 2.354703 BFGS: 9746 15:44:02 86.002105 25.302316 BFGS: 9747 15:44:02 83.960983 25.017050 BFGS: 9748 15:44:02 -305.573287 2.485588 BFGS: 9749 15:44:03 -305.595931 2.471909 BFGS: 9750 15:44:03 84.116751 25.038657 BFGS: 9751 15:44:03 -305.617734 2.458637 BFGS: 9752 15:44:03 -305.637257 2.446667 BFGS: 9753 15:44:03 84.474492 25.088508 BFGS: 9754 15:44:03 -305.658231 2.433717 BFGS: 9755 15:44:03 -305.677036 2.422024 BFGS: 9756 15:44:03 84.841383 25.139679 BFGS: 9757 15:44:03 -305.697393 2.409277 BFGS: 9758 15:44:03 -305.715668 2.397753 BFGS: 9759 15:44:03 85.220760 25.192647 BFGS: 9760 15:44:04 -305.735602 2.385097 BFGS: 9761 15:44:04 -305.753517 2.373642 BFGS: 9762 15:44:04 85.616264 25.247928 BFGS: 9763 15:44:04 -305.773209 2.360965 BFGS: 9764 15:44:04 -305.790924 2.349479 BFGS: 9765 15:44:04 86.031943 25.306101 BFGS: 9766 15:44:04 84.035820 25.027249 BFGS: 9767 15:44:04 -305.586657 2.477525 BFGS: 9768 15:44:04 -305.608633 2.464189 BFGS: 9769 15:44:04 84.196018 25.049489 BFGS: 9770 15:44:04 -305.629882 2.451197 BFGS: 9771 15:44:04 -305.648918 2.439475 BFGS: 9772 15:44:05 84.554553 25.099459 BFGS: 9773 15:44:05 -305.669449 2.426746 BFGS: 9774 15:44:05 -305.687866 2.415247 BFGS: 9775 15:44:05 84.923690 25.150956 BFGS: 9776 15:44:05 -305.707880 2.402665 BFGS: 9777 15:44:05 -305.725854 2.391287 BFGS: 9778 15:44:05 85.306867 25.204470 BFGS: 9779 15:44:05 -305.745538 2.378742 BFGS: 9780 15:44:05 -305.763234 2.367384 BFGS: 9781 15:44:05 85.707868 25.260539 BFGS: 9782 15:44:05 -305.782761 2.354766 BFGS: 9783 15:44:05 83.933499 25.012781 BFGS: 9784 15:44:06 -305.784369 2.353725 BFGS: 9785 15:44:06 -305.785828 2.352778 BFGS: 9786 15:44:06 86.517331 25.375145 BFGS: 9787 15:44:06 84.032403 25.026741 BFGS: 9788 15:44:06 -305.530344 2.511200 BFGS: 9789 15:44:06 -305.558280 2.494547 BFGS: 9790 15:44:06 84.239196 25.055602 BFGS: 9791 15:44:06 -305.585276 2.478307 BFGS: 9792 15:44:06 -305.609383 2.463678 BFGS: 9793 15:44:06 84.693624 25.119204 BFGS: 9794 15:44:06 -305.635381 2.447766 BFGS: 9795 15:44:07 -305.658634 2.433412 BFGS: 9796 15:44:07 85.159718 25.184489 BFGS: 9797 15:44:07 -305.683884 2.417694 BFGS: 9798 15:44:07 -305.706499 2.403495 BFGS: 9799 15:44:07 85.641700 25.252059 BFGS: 9800 15:44:07 -305.731226 2.387839 BFGS: 9801 15:44:07 -305.753402 2.373678 BFGS: 9802 15:44:07 86.144151 25.322566 BFGS: 9803 15:44:07 -305.777815 2.357956 BFGS: 9804 15:44:07 83.927483 25.011880 BFGS: 9805 15:44:07 -305.779825 2.356658 BFGS: 9806 15:44:07 -305.781647 2.355478 BFGS: 9807 15:44:08 87.189939 25.470823 BFGS: 9808 15:44:08 84.053271 25.029664 BFGS: 9809 15:44:08 -305.457409 2.553905 BFGS: 9810 15:44:08 -305.493601 2.532808 BFGS: 9811 15:44:08 84.326017 25.067899 BFGS: 9812 15:44:08 -305.528541 2.512206 BFGS: 9813 15:44:08 -305.559611 2.493687 BFGS: 9814 15:44:08 84.912423 25.150265 BFGS: 9815 15:44:08 -305.593111 2.473506 BFGS: 9816 15:44:08 -305.622956 2.455333 BFGS: 9817 15:44:08 85.510999 25.234394 BFGS: 9818 15:44:08 -305.655325 2.435414 BFGS: 9819 15:44:09 -305.684213 2.417446 BFGS: 9820 15:44:09 86.126927 25.321025 BFGS: 9821 15:44:09 -305.715728 2.397636 BFGS: 9822 15:44:09 -305.743899 2.379738 BFGS: 9823 15:44:09 86.765735 25.410945 BFGS: 9824 15:44:09 -305.774811 2.359888 BFGS: 9825 15:44:09 83.954953 25.015715 BFGS: 9826 15:44:09 -305.777351 2.358249 BFGS: 9827 15:44:09 -305.779654 2.356760 BFGS: 9828 15:44:09 88.149590 25.607362 BFGS: 9829 15:44:09 84.117833 25.038777 BFGS: 9830 15:44:10 -305.360335 2.609240 BFGS: 9831 15:44:10 -305.408395 2.582015 BFGS: 9832 15:44:10 84.487160 25.090739 BFGS: 9833 15:44:10 -305.454716 2.555389 BFGS: 9834 15:44:10 -305.495676 2.531518 BFGS: 9835 15:44:10 85.261134 25.199779 BFGS: 9836 15:44:10 -305.539806 2.505447 BFGS: 9837 15:44:10 -305.578920 2.482022 BFGS: 9838 15:44:10 86.046187 25.310441 BFGS: 9839 15:44:10 -305.621251 2.456325 BFGS: 9840 15:44:10 -305.658852 2.433187 BFGS: 9841 15:44:10 86.848613 25.423622 BFGS: 9842 15:44:11 -305.699728 2.407691 BFGS: 9843 15:44:11 -305.736109 2.384686 BFGS: 9844 15:44:11 87.674979 25.540259 BFGS: 9845 15:44:11 -305.775834 2.359222 BFGS: 9846 15:44:11 84.042866 25.028117 BFGS: 9847 15:44:11 -305.779086 2.357123 BFGS: 9848 15:44:11 -305.782034 2.355217 BFGS: 9849 15:44:11 89.550947 25.806825 BFGS: 9850 15:44:11 84.257413 25.058529 BFGS: 9851 15:44:11 -305.227786 2.682224 BFGS: 9852 15:44:11 -305.293514 2.646343 BFGS: 9853 15:44:11 84.772430 25.131205 BFGS: 9854 15:44:12 -305.356694 2.611193 BFGS: 9855 15:44:12 -305.412140 2.579790 BFGS: 9856 15:44:12 85.820541 25.279241 BFGS: 9857 15:44:12 -305.471775 2.545409 BFGS: 9858 15:44:12 -305.524264 2.514605 BFGS: 9859 15:44:12 86.874583 25.428194 BFGS: 9860 15:44:12 -305.580864 2.480797 BFGS: 9861 15:44:12 -305.630819 2.450423 BFGS: 9862 15:44:12 87.941903 25.579109 BFGS: 9863 15:44:12 -305.684822 2.417003 BFGS: 9864 15:44:12 -305.732608 2.386898 BFGS: 9865 15:44:12 89.029951 25.733049 BFGS: 9866 15:44:13 -305.784394 2.353687 BFGS: 9867 15:44:13 84.234887 25.055293 BFGS: 9868 15:44:13 -305.788602 2.350963 BFGS: 9869 15:44:13 -305.792418 2.348488 BFGS: 9870 15:44:13 91.624302 26.102113 BFGS: 9871 15:44:13 84.520694 25.095845 BFGS: 9872 15:44:13 -305.043542 2.779182 BFGS: 9873 15:44:13 -305.136328 2.730915 BFGS: 9874 15:44:13 85.259630 25.200366 BFGS: 9875 15:44:13 -305.225116 2.683553 BFGS: 9876 15:44:13 -305.302237 2.641428 BFGS: 9877 15:44:14 86.715485 25.406431 BFGS: 9878 15:44:14 -305.384906 2.595196 BFGS: 9879 15:44:14 -305.456987 2.553922 BFGS: 9880 15:44:14 88.162429 25.611350 BFGS: 9881 15:44:14 -305.534235 2.508639 BFGS: 9882 15:44:14 -305.601828 2.468071 BFGS: 9883 15:44:14 89.608086 25.816207 BFGS: 9884 15:44:14 -305.674253 2.423568 BFGS: 9885 15:44:14 -305.737836 2.383565 BFGS: 9886 15:44:14 91.059891 26.022061 BFGS: 9887 15:44:14 83.989418 25.020651 BFGS: 9888 15:44:14 -304.980412 2.811344 BFGS: 9889 15:44:15 -305.075482 2.762707 BFGS: 9890 15:44:15 84.728193 25.125125 BFGS: 9891 15:44:15 -305.166368 2.715026 BFGS: 9892 15:44:15 -305.245207 2.672672 BFGS: 9893 15:44:15 86.188052 25.331715 BFGS: 9894 15:44:15 -305.329765 2.626162 BFGS: 9895 15:44:15 -305.403400 2.584694 BFGS: 9896 15:44:15 87.637132 25.536894 BFGS: 9897 15:44:15 -305.482358 2.539173 BFGS: 9898 15:44:15 -305.551366 2.498442 BFGS: 9899 15:44:15 89.083136 25.741757 BFGS: 9900 15:44:15 -305.625348 2.453739 BFGS: 9901 15:44:16 -305.690226 2.413601 BFGS: 9902 15:44:16 90.533560 25.947370 BFGS: 9903 15:44:16 -305.759766 2.369554 BFGS: 9904 15:44:16 84.140044 25.041923 BFGS: 9905 15:44:16 -305.765416 2.365929 BFGS: 9906 15:44:16 -305.770534 2.362638 BFGS: 9907 15:44:16 93.870321 26.422484 BFGS: 9908 15:44:16 84.503600 25.093533 BFGS: 9909 15:44:16 -304.765443 2.916858 BFGS: 9910 15:44:16 -304.897438 2.852676 BFGS: 9911 15:44:16 85.545384 25.241116 BFGS: 9912 15:44:17 -305.022868 2.789658 BFGS: 9913 15:44:17 -305.130403 2.733934 BFGS: 9914 15:44:17 87.539701 25.523816 BFGS: 9915 15:44:17 -305.245128 2.672631 BFGS: 9916 15:44:17 -305.343964 2.618169 BFGS: 9917 15:44:17 89.492164 25.800768 BFGS: 9918 15:44:17 -305.449022 2.558480 BFGS: 9919 15:44:17 -305.539940 2.505215 BFGS: 9920 15:44:17 91.408578 26.072785 BFGS: 9921 15:44:17 -305.636242 2.447044 BFGS: 9922 15:44:17 -305.719937 2.394913 BFGS: 9923 15:44:17 93.294385 26.340633 BFGS: 9924 15:44:18 84.012723 25.023988 BFGS: 9925 15:44:18 -304.709940 2.943238 BFGS: 9926 15:44:18 -304.843909 2.878967 BFGS: 9927 15:44:18 85.052962 25.171324 BFGS: 9928 15:44:18 -304.971189 2.815879 BFGS: 9929 15:44:18 -305.080209 2.760152 BFGS: 9930 15:44:18 87.046865 25.453914 BFGS: 9931 15:44:18 -305.196651 2.698783 BFGS: 9932 15:44:18 -305.296879 2.644317 BFGS: 9933 15:44:18 88.998654 25.730718 BFGS: 9934 15:44:18 -305.403539 2.584562 BFGS: 9935 15:44:19 -305.495768 2.531290 BFGS: 9936 15:44:19 90.914275 26.002572 BFGS: 9937 15:44:19 -305.593575 2.473051 BFGS: 9938 15:44:19 -305.678513 2.420907 BFGS: 9939 15:44:19 92.799308 26.270260 BFGS: 9940 15:44:19 -305.768283 2.364091 BFGS: 9941 15:44:19 84.399032 25.078700 BFGS: 9942 15:44:19 -305.775504 2.359442 BFGS: 9943 15:44:19 -305.782041 2.355223 BFGS: 9944 15:44:19 97.139606 26.888965 BFGS: 9945 15:44:19 84.854746 25.143426 BFGS: 9946 15:44:19 -304.451499 3.061425 BFGS: 9947 15:44:20 -304.636656 2.977374 BFGS: 9948 15:44:20 86.305846 25.349248 BFGS: 9949 15:44:20 -304.811064 2.894794 BFGS: 9950 15:44:20 -304.958429 2.822191 BFGS: 9951 15:44:20 89.006085 25.732516 BFGS: 9952 15:44:20 -305.114504 2.742199 BFGS: 9953 15:44:20 -305.247172 2.671461 BFGS: 9954 15:44:20 91.603585 26.101506 BFGS: 9955 15:44:20 -305.386572 2.594152 BFGS: 9956 15:44:20 -305.505737 2.525410 BFGS: 9957 15:44:20 94.098018 26.456134 BFGS: 9958 15:44:21 -305.630007 2.450858 BFGS: 9959 15:44:21 -305.736805 2.384224 BFGS: 9960 15:44:21 96.489402 26.796364 BFGS: 9961 15:44:21 84.407277 25.079983 BFGS: 9962 15:44:21 -304.412818 3.078561 BFGS: 9963 15:44:21 -304.598155 2.995162 BFGS: 9964 15:44:21 85.843428 25.283646 BFGS: 9965 15:44:21 -304.772807 2.913222 BFGS: 9966 15:44:21 -304.920346 2.841228 BFGS: 9967 15:44:21 88.519737 25.663445 BFGS: 9968 15:44:21 -305.076842 2.761821 BFGS: 9969 15:44:21 -305.209840 2.691645 BFGS: 9970 15:44:22 91.096718 26.029450 BFGS: 9971 15:44:22 -305.349822 2.614854 BFGS: 9972 15:44:22 -305.469460 2.546617 BFGS: 9973 15:44:22 93.574478 26.381638 BFGS: 9974 15:44:22 -305.594454 2.472509 BFGS: 9975 15:44:22 -305.701851 2.406313 BFGS: 9976 15:44:22 95.953399 26.720029 BFGS: 9977 15:44:22 84.062541 25.031113 BFGS: 9978 15:44:22 -304.387384 3.089755 BFGS: 9979 15:44:22 -304.572090 3.007119 BFGS: 9980 15:44:22 85.481659 25.232328 BFGS: 9981 15:44:22 -304.746221 2.925931 BFGS: 9982 15:44:23 -304.893323 2.854627 BFGS: 9983 15:44:23 88.130040 25.608103 BFGS: 9984 15:44:23 -305.049550 2.775918 BFGS: 9985 15:44:23 -305.182320 2.706389 BFGS: 9986 15:44:23 90.682543 25.970571 BFGS: 9987 15:44:23 -305.322262 2.630232 BFGS: 9988 15:44:23 -305.441865 2.562588 BFGS: 9989 15:44:23 93.139704 26.319772 BFGS: 9990 15:44:23 -305.567022 2.489039 BFGS: 9991 15:44:23 -305.674558 2.423373 BFGS: 9992 15:44:23 95.502273 26.655779 BFGS: 9993 15:44:24 -305.786315 2.352472 BFGS: 9994 15:44:24 84.769523 25.131355 BFGS: 9995 15:44:24 83.881315 25.005434 BFGS: 9996 15:44:24 -304.413713 3.078225 BFGS: 9997 15:44:24 -304.591678 2.998189 BFGS: 9998 15:44:24 85.243028 25.198472 BFGS: 9999 15:44:24 -304.759624 2.919574 BFGS: 10000 15:44:24 -304.901732 2.850501 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.9827355301831694 eV/Angstrom Maximum stress component: 0.0015629665285731439 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.73394784e-30 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 2.70570180e-30 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [9.49951037e-01 9.49951037e-01 9.49951037e-01] [5.00489625e-02 5.50048963e-01 4.49951037e-01] [5.50048963e-01 4.49951037e-01 5.00489625e-02] [4.49951037e-01 5.00489625e-02 5.50048963e-01] [6.99951037e-01 1.99951037e-01 8.00048963e-01] [3.00048963e-01 3.00048963e-01 3.00048963e-01] [1.99951037e-01 8.00048963e-01 6.99951037e-01] [8.00048963e-01 6.99951037e-01 1.99951037e-01] [1.99951037e-01 6.99951037e-01 8.00048963e-01] [6.99951037e-01 8.00048963e-01 1.99951037e-01] [8.00048963e-01 1.99951037e-01 6.99951037e-01] [5.50048963e-01 5.00489625e-02 4.49951037e-01] [5.00489625e-02 4.49951037e-01 5.50048963e-01] [4.49951037e-01 5.50048963e-01 5.00489625e-02] [9.49951037e-01 4.49951037e-01 4.49951037e-01] [5.00489625e-02 5.00489625e-02 9.49951037e-01] [5.50048963e-01 9.49951037e-01 5.50048963e-01] [6.99951037e-01 6.99951037e-01 3.00048963e-01] [3.00048963e-01 8.00048963e-01 8.00048963e-01] [1.99951037e-01 3.00048963e-01 1.99951037e-01] [1.99951037e-01 1.99951037e-01 3.00048963e-01] [6.99951037e-01 3.00048963e-01 6.99951037e-01] [5.50048963e-01 5.50048963e-01 9.49951037e-01] [5.00489625e-02 9.49951037e-01 5.00489625e-02] [4.49951037e-01 9.49951037e-01 4.49951037e-01] [9.49951037e-01 5.00489625e-02 5.00489625e-02] [8.00048963e-01 3.00048963e-01 8.00048963e-01] [3.00048963e-01 6.99951037e-01 6.99951037e-01] [3.00048963e-01 1.99951037e-01 1.99951037e-01] [9.49951037e-01 5.50048963e-01 5.50048963e-01] [4.49951037e-01 4.49951037e-01 9.49951037e-01] [8.00048963e-01 8.00048963e-01 3.00048963e-01] [3.88375299e-01 3.88375299e-01 2.08429646e-01] [6.11624701e-01 1.11624701e-01 7.08429646e-01] [1.11624701e-01 8.88375299e-01 7.91570354e-01] [8.88375299e-01 6.11624701e-01 2.91570354e-01] [2.08429646e-01 3.88375299e-01 3.88375299e-01] [7.08429646e-01 6.11624701e-01 1.11624701e-01] [7.91570354e-01 1.11624701e-01 8.88375299e-01] [2.91570354e-01 8.88375299e-01 6.11624701e-01] [3.88375299e-01 2.08429646e-01 3.88375299e-01] [1.11624701e-01 7.08429646e-01 6.11624701e-01] [8.88375299e-01 7.91570354e-01 1.11624701e-01] [6.11624701e-01 2.91570354e-01 8.88375299e-01] [1.38375299e-01 6.38375299e-01 5.41570354e-01] [8.61624701e-01 8.61624701e-01 4.15703539e-02] [6.38375299e-01 3.61624701e-01 9.58429646e-01] [3.61624701e-01 1.38375299e-01 4.58429646e-01] [1.38375299e-01 4.58429646e-01 3.61624701e-01] [3.61624701e-01 9.58429646e-01 6.38375299e-01] [8.61624701e-01 4.15703539e-02 8.61624701e-01] [6.38375299e-01 5.41570354e-01 1.38375299e-01] [9.58429646e-01 6.38375299e-01 3.61624701e-01] [4.58429646e-01 3.61624701e-01 1.38375299e-01] [5.41570354e-01 1.38375299e-01 6.38375299e-01] [4.15703539e-02 8.61624701e-01 8.61624701e-01] [6.38375299e-01 1.38375299e-01 5.41570354e-01] [1.38375299e-01 3.61624701e-01 4.58429646e-01] [3.61624701e-01 6.38375299e-01 9.58429646e-01] [5.41570354e-01 6.38375299e-01 1.38375299e-01] [4.58429646e-01 1.38375299e-01 3.61624701e-01] [9.58429646e-01 3.61624701e-01 6.38375299e-01] [1.38375299e-01 5.41570354e-01 6.38375299e-01] [3.61624701e-01 4.58429646e-01 1.38375299e-01] [6.38375299e-01 9.58429646e-01 3.61624701e-01] [1.11624701e-01 6.11624701e-01 7.08429646e-01] [6.11624701e-01 8.88375299e-01 2.91570354e-01] [8.88375299e-01 1.11624701e-01 7.91570354e-01] [1.11624701e-01 7.91570354e-01 8.88375299e-01] [8.88375299e-01 2.91570354e-01 6.11624701e-01] [6.11624701e-01 7.08429646e-01 1.11624701e-01] [2.91570354e-01 6.11624701e-01 8.88375299e-01] [7.91570354e-01 8.88375299e-01 1.11624701e-01] [7.08429646e-01 1.11624701e-01 6.11624701e-01] [3.88375299e-01 8.88375299e-01 7.08429646e-01] [6.11624701e-01 6.11624701e-01 2.08429646e-01] [1.11624701e-01 3.88375299e-01 2.91570354e-01] [2.08429646e-01 8.88375299e-01 8.88375299e-01] [7.91570354e-01 6.11624701e-01 3.88375299e-01] [2.91570354e-01 3.88375299e-01 1.11624701e-01] [3.88375299e-01 7.08429646e-01 8.88375299e-01] [1.11624701e-01 2.08429646e-01 1.11624701e-01] [6.11624701e-01 7.91570354e-01 3.88375299e-01] [1.38375299e-01 1.38375299e-01 4.15703539e-02] [8.61624701e-01 3.61624701e-01 5.41570354e-01] [6.38375299e-01 8.61624701e-01 4.58429646e-01] [1.38375299e-01 9.58429646e-01 8.61624701e-01] [8.61624701e-01 5.41570354e-01 3.61624701e-01] [6.38375299e-01 4.15703539e-02 6.38375299e-01] [9.58429646e-01 1.38375299e-01 8.61624701e-01] [4.58429646e-01 8.61624701e-01 6.38375299e-01] [4.15703539e-02 3.61624701e-01 3.61624701e-01] [6.38375299e-01 6.38375299e-01 4.15703539e-02] [1.38375299e-01 8.61624701e-01 9.58429646e-01] [4.58429646e-01 6.38375299e-01 8.61624701e-01] [9.58429646e-01 8.61624701e-01 1.38375299e-01] [1.38375299e-01 4.15703539e-02 1.38375299e-01] [6.38375299e-01 4.58429646e-01 8.61624701e-01] [1.11624701e-01 1.11624701e-01 2.08429646e-01] [6.11624701e-01 3.88375299e-01 7.91570354e-01] [1.11624701e-01 2.91570354e-01 3.88375299e-01] [6.11624701e-01 2.08429646e-01 6.11624701e-01] [2.91570354e-01 1.11624701e-01 3.88375299e-01] [7.91570354e-01 3.88375299e-01 6.11624701e-01] [8.88375299e-01 3.88375299e-01 7.08429646e-01] [3.88375299e-01 6.11624701e-01 7.91570354e-01] [7.08429646e-01 3.88375299e-01 8.88375299e-01] [2.08429646e-01 6.11624701e-01 6.11624701e-01] [8.88375299e-01 2.08429646e-01 8.88375299e-01] [3.88375299e-01 7.91570354e-01 6.11624701e-01] [3.61624701e-01 8.61624701e-01 5.41570354e-01] [8.61624701e-01 1.38375299e-01 9.58429646e-01] [8.61624701e-01 9.58429646e-01 1.38375299e-01] [3.61624701e-01 4.15703539e-02 3.61624701e-01] [4.15703539e-02 1.38375299e-01 1.38375299e-01] [5.41570354e-01 8.61624701e-01 3.61624701e-01] [8.61624701e-01 6.38375299e-01 4.58429646e-01] [4.15703539e-02 6.38375299e-01 6.38375299e-01] [8.61624701e-01 4.58429646e-01 6.38375299e-01] [3.88375299e-01 1.11624701e-01 2.91570354e-01] [3.88375299e-01 2.91570354e-01 1.11624701e-01] [2.08429646e-01 1.11624701e-01 1.11624701e-01] [8.88375299e-01 8.88375299e-01 2.08429646e-01] [7.08429646e-01 8.88375299e-01 3.88375299e-01] [8.88375299e-01 7.08429646e-01 3.88375299e-01] [3.61624701e-01 3.61624701e-01 4.15703539e-02] [3.61624701e-01 5.41570354e-01 8.61624701e-01] [5.41570354e-01 3.61624701e-01 8.61624701e-01]] cellpar = Cell([[24.67796739489713, -2.0892721138179e-31, 2.325828481611959e-32], [8.132228137521054e-32, 24.67796739489713, -9.66235622851532e-18], [-2.3263437317986526e-32, -9.66235622851547e-18, 24.67796739489713]]) forces = [[-1.62229031e-30 -8.11145154e-30 1.62229031e-30] [ 1.78451934e-29 4.46129835e-30 -3.24458062e-30] [-1.21671773e-30 -1.70340482e-29 -3.65015319e-30] [ 4.46129835e-30 -1.27037585e-48 3.24458062e-30] [ 2.59566449e-29 -9.73374185e-30 -4.05572577e-31] [ 7.30030639e-30 -3.81112754e-48 9.73374185e-30] [-3.24458062e-30 -3.65015319e-30 9.73374185e-30] [-9.73374185e-30 2.06842014e-29 -8.09864602e-48] [ 9.82735530e-01 9.82735530e-01 9.82735530e-01] [-9.82735530e-01 -9.82735530e-01 9.82735530e-01] [-9.82735530e-01 9.82735530e-01 -9.82735530e-01] [ 9.82735530e-01 -9.82735530e-01 -9.82735530e-01] [ 9.82735530e-01 9.82735530e-01 -9.82735530e-01] [-9.82735530e-01 -9.82735530e-01 -9.82735530e-01] [ 9.82735530e-01 -9.82735530e-01 9.82735530e-01] [-9.82735530e-01 9.82735530e-01 9.82735530e-01] [ 9.82735530e-01 9.82735530e-01 -9.82735530e-01] [ 9.82735530e-01 -9.82735530e-01 9.82735530e-01] [-9.82735530e-01 9.82735530e-01 9.82735530e-01] [-9.82735530e-01 -9.82735530e-01 9.82735530e-01] [-9.82735530e-01 9.82735530e-01 -9.82735530e-01] [ 9.82735530e-01 -9.82735530e-01 -9.82735530e-01] [ 9.82735530e-01 9.82735530e-01 9.82735530e-01] [-9.82735530e-01 -9.82735530e-01 9.82735530e-01] [-9.82735530e-01 9.82735530e-01 -9.82735530e-01] [ 9.82735530e-01 9.82735530e-01 -9.82735530e-01] [-9.82735530e-01 -9.82735530e-01 -9.82735530e-01] [ 9.82735530e-01 -9.82735530e-01 9.82735530e-01] [ 9.82735530e-01 9.82735530e-01 -9.82735530e-01] [ 9.82735530e-01 -9.82735530e-01 9.82735530e-01] [-9.82735530e-01 -9.82735530e-01 9.82735530e-01] [-9.82735530e-01 9.82735530e-01 -9.82735530e-01] [ 9.82735530e-01 9.82735530e-01 9.82735530e-01] [ 9.82735530e-01 -9.82735530e-01 -9.82735530e-01] [-9.82735530e-01 -9.82735530e-01 -9.82735530e-01] [-9.82735530e-01 9.82735530e-01 9.82735530e-01] [-9.82735530e-01 9.82735530e-01 9.82735530e-01] [ 9.82735530e-01 -9.82735530e-01 -9.82735530e-01] [ 9.82735530e-01 9.82735530e-01 9.82735530e-01] [-9.82735530e-01 -9.82735530e-01 -9.82735530e-01] [-1.27671142e-01 -1.27671142e-01 2.73941771e-01] [ 1.27671142e-01 1.27671142e-01 2.73941771e-01] [ 1.27671142e-01 -1.27671142e-01 -2.73941771e-01] [-1.27671142e-01 1.27671142e-01 -2.73941771e-01] [ 2.73941771e-01 -1.27671142e-01 -1.27671142e-01] [ 2.73941771e-01 1.27671142e-01 1.27671142e-01] [-2.73941771e-01 1.27671142e-01 -1.27671142e-01] [-2.73941771e-01 -1.27671142e-01 1.27671142e-01] [-1.27671142e-01 2.73941771e-01 -1.27671142e-01] [ 1.27671142e-01 2.73941771e-01 1.27671142e-01] [-1.27671142e-01 -2.73941771e-01 1.27671142e-01] [ 1.27671142e-01 -2.73941771e-01 -1.27671142e-01] [-1.27671142e-01 -1.27671142e-01 -2.73941771e-01] [ 1.27671142e-01 1.27671142e-01 -2.73941771e-01] [-1.27671142e-01 1.27671142e-01 2.73941771e-01] [ 1.27671142e-01 -1.27671142e-01 2.73941771e-01] [-1.27671142e-01 2.73941771e-01 1.27671142e-01] [ 1.27671142e-01 2.73941771e-01 -1.27671142e-01] [ 1.27671142e-01 -2.73941771e-01 1.27671142e-01] [-1.27671142e-01 -2.73941771e-01 -1.27671142e-01] [ 2.73941771e-01 -1.27671142e-01 1.27671142e-01] [ 2.73941771e-01 1.27671142e-01 -1.27671142e-01] [-2.73941771e-01 -1.27671142e-01 -1.27671142e-01] [-2.73941771e-01 1.27671142e-01 1.27671142e-01] [-1.27671142e-01 -1.27671142e-01 -2.73941771e-01] [-1.27671142e-01 1.27671142e-01 2.73941771e-01] [ 1.27671142e-01 -1.27671142e-01 2.73941771e-01] [-2.73941771e-01 -1.27671142e-01 -1.27671142e-01] [ 2.73941771e-01 -1.27671142e-01 1.27671142e-01] [ 2.73941771e-01 1.27671142e-01 -1.27671142e-01] [-1.27671142e-01 -2.73941771e-01 -1.27671142e-01] [ 1.27671142e-01 2.73941771e-01 -1.27671142e-01] [-1.27671142e-01 2.73941771e-01 1.27671142e-01] [ 1.27671142e-01 1.27671142e-01 2.73941771e-01] [ 1.27671142e-01 -1.27671142e-01 -2.73941771e-01] [-1.27671142e-01 1.27671142e-01 -2.73941771e-01] [ 1.27671142e-01 -2.73941771e-01 -1.27671142e-01] [-1.27671142e-01 -2.73941771e-01 1.27671142e-01] [ 1.27671142e-01 2.73941771e-01 1.27671142e-01] [-2.73941771e-01 1.27671142e-01 -1.27671142e-01] [-2.73941771e-01 -1.27671142e-01 1.27671142e-01] [ 2.73941771e-01 1.27671142e-01 1.27671142e-01] [-1.27671142e-01 -1.27671142e-01 2.73941771e-01] [ 1.27671142e-01 1.27671142e-01 2.73941771e-01] [ 1.27671142e-01 -1.27671142e-01 -2.73941771e-01] [ 2.73941771e-01 -1.27671142e-01 -1.27671142e-01] [-2.73941771e-01 1.27671142e-01 -1.27671142e-01] [-2.73941771e-01 -1.27671142e-01 1.27671142e-01] [-1.27671142e-01 2.73941771e-01 -1.27671142e-01] [ 1.27671142e-01 2.73941771e-01 1.27671142e-01] [ 1.27671142e-01 -2.73941771e-01 -1.27671142e-01] [-1.27671142e-01 -1.27671142e-01 -2.73941771e-01] [ 1.27671142e-01 1.27671142e-01 -2.73941771e-01] [-1.27671142e-01 1.27671142e-01 2.73941771e-01] [-1.27671142e-01 2.73941771e-01 1.27671142e-01] [ 1.27671142e-01 -2.73941771e-01 1.27671142e-01] [-1.27671142e-01 -2.73941771e-01 -1.27671142e-01] [ 2.73941771e-01 -1.27671142e-01 1.27671142e-01] [ 2.73941771e-01 1.27671142e-01 -1.27671142e-01] [-2.73941771e-01 1.27671142e-01 1.27671142e-01] [-1.27671142e-01 -1.27671142e-01 -2.73941771e-01] [-1.27671142e-01 1.27671142e-01 2.73941771e-01] [ 2.73941771e-01 -1.27671142e-01 1.27671142e-01] [ 2.73941771e-01 1.27671142e-01 -1.27671142e-01] [-1.27671142e-01 -2.73941771e-01 -1.27671142e-01] [-1.27671142e-01 2.73941771e-01 1.27671142e-01] [ 1.27671142e-01 1.27671142e-01 2.73941771e-01] [ 1.27671142e-01 -1.27671142e-01 -2.73941771e-01] [ 1.27671142e-01 -2.73941771e-01 -1.27671142e-01] [ 1.27671142e-01 2.73941771e-01 1.27671142e-01] [-2.73941771e-01 1.27671142e-01 -1.27671142e-01] [-2.73941771e-01 -1.27671142e-01 1.27671142e-01] [-1.27671142e-01 -1.27671142e-01 2.73941771e-01] [-1.27671142e-01 1.27671142e-01 -2.73941771e-01] [ 2.73941771e-01 -1.27671142e-01 -1.27671142e-01] [ 2.73941771e-01 1.27671142e-01 1.27671142e-01] [-1.27671142e-01 2.73941771e-01 -1.27671142e-01] [-1.27671142e-01 -2.73941771e-01 1.27671142e-01] [ 1.27671142e-01 1.27671142e-01 -2.73941771e-01] [ 1.27671142e-01 -1.27671142e-01 2.73941771e-01] [ 1.27671142e-01 2.73941771e-01 -1.27671142e-01] [ 1.27671142e-01 -2.73941771e-01 1.27671142e-01] [-2.73941771e-01 -1.27671142e-01 -1.27671142e-01] [-2.73941771e-01 1.27671142e-01 1.27671142e-01] [ 1.27671142e-01 -1.27671142e-01 2.73941771e-01] [-2.73941771e-01 -1.27671142e-01 -1.27671142e-01] [ 1.27671142e-01 2.73941771e-01 -1.27671142e-01] [-1.27671142e-01 1.27671142e-01 -2.73941771e-01] [-1.27671142e-01 -2.73941771e-01 1.27671142e-01] [ 2.73941771e-01 1.27671142e-01 1.27671142e-01] [-1.27671142e-01 -1.27671142e-01 2.73941771e-01] [ 2.73941771e-01 -1.27671142e-01 -1.27671142e-01] [-1.27671142e-01 2.73941771e-01 -1.27671142e-01] [ 1.27671142e-01 1.27671142e-01 -2.73941771e-01] [ 1.27671142e-01 -2.73941771e-01 1.27671142e-01] [-2.73941771e-01 1.27671142e-01 1.27671142e-01]] stress = [ 1.56296653e-03 1.56296653e-03 1.56296653e-03 2.03115727e-24 -2.91219276e-52 -1.37364023e-51] energy per atom = -2.2419245002625083 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0