element(s): ['O', 'V'] AFLOW prototype label: A13B6_mC38_12_a6i_3i Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'z7', 'x8', 'z8', 'x9', 'z9', 'x10', 'z10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['12.1303', '0.30786543', '0.84532946', '79.0866', '0.68104031', '0.99992444', '0.88644681', '0.80274999', '0.17621826', '0.80189903', '0.75260216', '0.58955322', '0.38021524', '0.61532053', '0.060391103', '0.59085364', '0.85210253', '0.0020131935', '0.91282537', '0.63616451', '0.21316974', '0.63426479'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'V', 'V', 'V'] representative atom coordinates = [[0.0000000e+00 0.0000000e+00 0.0000000e+00] [3.1895969e-01 0.0000000e+00 7.5560000e-05] [1.1355319e-01 0.0000000e+00 1.9725001e-01] [8.2378174e-01 0.0000000e+00 1.9810097e-01] [2.4739784e-01 0.0000000e+00 4.1044678e-01] [6.1978476e-01 0.0000000e+00 3.8467947e-01] [9.3960890e-01 0.0000000e+00 4.0914636e-01] [1.4789747e-01 0.0000000e+00 9.9798681e-01] [8.7174630e-02 0.0000000e+00 3.6383549e-01] [7.8683026e-01 0.0000000e+00 3.6573521e-01]] spacegroup = 12 cell = [[12.1303, 0, 0], [0, 3.7345, 0], [1.9413584314748, 0, 10.068649077733]] ========================================= Step Time Energy fmax BFGS: 0 16:18:43 314.139337 499.9959 BFGS: 1 16:18:43 50.794768 227.8960 BFGS: 2 16:18:43 9.971745 243.1673 BFGS: 3 16:18:43 -12.507138 217.5935 BFGS: 4 16:18:43 -31.681632 206.5322 BFGS: 5 16:18:43 -48.698832 196.5314 BFGS: 6 16:18:43 -62.186671 188.9829 BFGS: 7 16:18:43 -75.928904 180.8480 BFGS: 8 16:18:43 -89.542624 172.4246 BFGS: 9 16:18:43 -102.839065 164.0648 BFGS: 10 16:18:43 -116.007418 156.9308 BFGS: 11 16:18:43 -128.531950 150.2568 BFGS: 12 16:18:43 -141.405872 144.1684 BFGS: 13 16:18:43 -154.319823 138.3052 BFGS: 14 16:18:43 -167.210599 132.4871 BFGS: 15 16:18:43 -179.931447 126.8145 BFGS: 16 16:18:43 -192.242084 121.2213 BFGS: 17 16:18:43 -204.100277 115.9048 BFGS: 18 16:18:43 -215.336681 110.8246 BFGS: 19 16:18:43 -226.265507 106.0760 BFGS: 20 16:18:43 -237.175213 101.4846 BFGS: 21 16:18:43 -248.163726 97.0131 BFGS: 22 16:18:43 -259.327586 92.5907 BFGS: 23 16:18:43 -270.797648 88.1516 BFGS: 24 16:18:43 -282.755493 83.6148 BFGS: 25 16:18:43 -295.434129 78.8805 BFGS: 26 16:18:44 -309.154467 73.8156 BFGS: 27 16:18:44 -324.348950 68.2175 BFGS: 28 16:18:44 -341.674658 61.7866 BFGS: 29 16:18:44 -358.782499 55.2676 BFGS: 30 16:18:44 -373.701232 49.3438 BFGS: 31 16:18:44 -387.396625 43.5511 BFGS: 32 16:18:44 -399.029969 38.4367 BFGS: 33 16:18:44 -409.249687 33.6681 BFGS: 34 16:18:44 -417.822710 29.6510 BFGS: 35 16:18:44 -425.619181 25.8746 BFGS: 36 16:18:44 -432.352612 22.6929 BFGS: 37 16:18:44 -438.526043 19.8033 BFGS: 38 16:18:45 -444.119395 17.3253 BFGS: 39 16:18:45 -449.343244 15.1676 BFGS: 40 16:18:45 -454.280252 13.3583 BFGS: 41 16:18:45 -459.043802 11.8679 BFGS: 42 16:18:45 -463.719045 10.8786 BFGS: 43 16:18:45 -468.385735 10.4356 BFGS: 44 16:18:45 -473.139189 10.1440 BFGS: 45 16:18:45 -478.235557 9.9876 BFGS: 46 16:18:45 -483.575016 9.9846 BFGS: 47 16:18:45 -488.399965 10.1440 BFGS: 48 16:18:45 -492.933103 11.7004 BFGS: 49 16:18:45 -496.962611 14.2518 BFGS: 50 16:18:46 -500.710939 15.9912 BFGS: 51 16:18:46 -504.172781 16.8004 BFGS: 52 16:18:46 -507.263075 17.0854 BFGS: 53 16:18:46 -510.052695 16.6799 BFGS: 54 16:18:46 -512.704453 16.4690 BFGS: 55 16:18:46 -515.239843 16.2629 BFGS: 56 16:18:46 -517.783071 16.1930 BFGS: 57 16:18:46 -520.120386 16.3334 BFGS: 58 16:18:46 -522.297327 12.5084 BFGS: 59 16:18:46 -524.165369 12.5968 BFGS: 60 16:18:46 -525.904782 12.6579 BFGS: 61 16:18:46 -527.580577 12.7089 BFGS: 62 16:18:47 -529.237867 12.7582 BFGS: 63 16:18:47 -530.891754 12.8002 BFGS: 64 16:18:47 -532.555265 12.8415 BFGS: 65 16:18:47 -534.232875 12.8741 BFGS: 66 16:18:47 -535.956783 12.9135 BFGS: 67 16:18:47 -537.774422 12.9531 BFGS: 68 16:18:47 -539.798560 13.0015 BFGS: 69 16:18:47 -542.183815 13.0712 BFGS: 70 16:18:47 -544.318205 13.1004 BFGS: 71 16:18:47 -546.110023 13.0916 BFGS: 72 16:18:47 -547.953243 13.0973 BFGS: 73 16:18:47 -549.776692 13.0741 BFGS: 74 16:18:47 -551.506523 13.0487 BFGS: 75 16:18:47 -553.209021 13.0104 BFGS: 76 16:18:47 -554.804350 12.9713 BFGS: 77 16:18:47 -556.352769 12.9162 BFGS: 78 16:18:47 -557.800855 12.8687 BFGS: 79 16:18:48 -559.201118 12.8154 BFGS: 80 16:18:48 -560.523146 12.7623 BFGS: 81 16:18:48 -561.804710 12.7055 BFGS: 82 16:18:48 -563.029833 12.6535 BFGS: 83 16:18:48 -564.222218 12.6049 BFGS: 84 16:18:48 -565.371712 12.5579 BFGS: 85 16:18:48 -566.494936 12.5113 BFGS: 86 16:18:48 -567.585974 12.4725 BFGS: 87 16:18:48 -568.654478 12.4340 BFGS: 88 16:18:48 -569.697262 12.3990 BFGS: 89 16:18:48 -570.719702 12.3713 BFGS: 90 16:18:48 -571.720404 12.3449 BFGS: 91 16:18:48 -572.703997 12.3304 BFGS: 92 16:18:48 -573.669041 12.3130 BFGS: 93 16:18:48 -574.620281 12.3084 BFGS: 94 16:18:48 -575.556252 12.3039 BFGS: 95 16:18:48 -576.480361 12.2990 BFGS: 96 16:18:48 -577.393400 12.2983 BFGS: 97 16:18:48 -578.298522 12.3028 BFGS: 98 16:18:48 -579.196083 12.3118 BFGS: 99 16:18:48 -580.088722 12.3240 BFGS: 100 16:18:49 -580.977947 12.3380 BFGS: 101 16:18:49 -581.867796 12.3554 BFGS: 102 16:18:49 -582.760989 12.3801 BFGS: 103 16:18:49 -583.663770 12.4052 BFGS: 104 16:18:49 -584.585824 12.4351 BFGS: 105 16:18:49 -585.536824 12.4695 BFGS: 106 16:18:49 -586.478128 12.4988 BFGS: 107 16:18:49 -587.422289 12.5346 BFGS: 108 16:18:49 -588.372438 12.5689 BFGS: 109 16:18:49 -589.310245 12.5996 BFGS: 110 16:18:49 -590.242212 12.6280 BFGS: 111 16:18:49 -591.158294 12.6519 BFGS: 112 16:18:49 -592.066267 12.6815 BFGS: 113 16:18:49 -592.958924 12.7023 BFGS: 114 16:18:49 -593.843808 12.7343 BFGS: 115 16:18:49 -594.714240 12.8622 BFGS: 116 16:18:49 -595.577019 12.9036 BFGS: 117 16:18:49 -596.428186 13.0188 BFGS: 118 16:18:49 -597.272126 13.0502 BFGS: 119 16:18:49 -598.105088 13.1344 BFGS: 120 16:18:49 -598.931606 13.1549 BFGS: 121 16:18:49 -599.748607 13.2041 BFGS: 122 16:18:49 -600.559927 13.2024 BFGS: 123 16:18:49 -601.363039 13.2157 BFGS: 124 16:18:49 -602.161327 13.1928 BFGS: 125 16:18:50 -602.952414 13.1740 BFGS: 126 16:18:50 -603.739941 13.1197 BFGS: 127 16:18:50 -604.520359 13.1299 BFGS: 128 16:18:50 -605.298898 13.2939 BFGS: 129 16:18:50 -606.068192 13.4133 BFGS: 130 16:18:50 -606.837763 13.5539 BFGS: 131 16:18:50 -607.596438 13.6417 BFGS: 132 16:18:50 -608.357308 13.7533 BFGS: 133 16:18:50 -609.105670 13.8107 BFGS: 134 16:18:50 -609.858937 13.8990 BFGS: 135 16:18:50 -610.597809 13.9299 BFGS: 136 16:18:50 -611.339723 13.9862 BFGS: 137 16:18:50 -612.069991 14.0034 BFGS: 138 16:18:50 -612.807149 14.0384 BFGS: 139 16:18:50 -613.530181 14.0258 BFGS: 140 16:18:50 -614.251505 14.0231 BFGS: 141 16:18:50 -614.969688 14.0013 BFGS: 142 16:18:50 -615.684710 13.9731 BFGS: 143 16:18:50 -616.395529 13.9262 BFGS: 144 16:18:50 -617.103305 13.8756 BFGS: 145 16:18:50 -617.803994 13.8329 BFGS: 146 16:18:50 -618.512365 13.8921 BFGS: 147 16:18:50 -619.209338 13.9570 BFGS: 148 16:18:50 -619.896013 14.0198 BFGS: 149 16:18:50 -620.598353 14.0874 BFGS: 150 16:18:51 -621.292145 14.1426 BFGS: 151 16:18:51 -621.979163 14.2041 BFGS: 152 16:18:51 -622.659951 14.2693 BFGS: 153 16:18:51 -623.330188 14.3431 BFGS: 154 16:18:51 -624.028301 14.4051 BFGS: 155 16:18:51 -624.715949 14.4694 BFGS: 156 16:18:51 -625.401364 14.5263 BFGS: 157 16:18:51 -626.084316 14.5936 BFGS: 158 16:18:52 -626.766913 14.6537 BFGS: 159 16:18:52 -627.448935 14.7214 BFGS: 160 16:18:52 -628.130701 14.7863 BFGS: 161 16:18:52 -628.812276 14.8555 BFGS: 162 16:18:52 -629.493227 14.9285 BFGS: 163 16:18:52 -630.173087 15.0023 BFGS: 164 16:18:52 -630.851885 15.0791 BFGS: 165 16:18:52 -631.528557 15.1611 BFGS: 166 16:18:52 -632.201255 15.2491 BFGS: 167 16:18:52 -632.868373 15.3483 BFGS: 168 16:18:52 -633.550669 15.4317 BFGS: 169 16:18:52 -634.227135 15.5103 BFGS: 170 16:18:52 -634.901010 15.5932 BFGS: 171 16:18:53 -635.573734 15.6736 BFGS: 172 16:18:53 -636.244153 15.7523 BFGS: 173 16:18:53 -636.914179 15.8279 BFGS: 174 16:18:53 -637.581125 15.9092 BFGS: 175 16:18:53 -638.248117 15.9845 BFGS: 176 16:18:53 -638.912684 16.0616 BFGS: 177 16:18:53 -639.576782 16.1350 BFGS: 178 16:18:53 -640.238645 16.2104 BFGS: 179 16:18:53 -640.899924 16.2840 BFGS: 180 16:18:53 -641.559345 16.3649 BFGS: 181 16:18:53 -642.217632 16.4374 BFGS: 182 16:18:53 -642.875178 16.5159 BFGS: 183 16:18:53 -643.531488 16.5925 BFGS: 184 16:18:53 -644.186483 16.6616 BFGS: 185 16:18:53 -644.840513 16.7336 BFGS: 186 16:18:53 -645.493651 16.8024 BFGS: 187 16:18:54 -646.148292 16.8738 BFGS: 188 16:18:54 -646.805661 16.9401 BFGS: 189 16:18:54 -647.466136 17.0052 BFGS: 190 16:18:54 -648.132821 17.0680 BFGS: 191 16:18:54 -648.806889 17.1300 BFGS: 192 16:18:54 -649.489929 17.1856 BFGS: 193 16:18:54 -650.182804 17.2391 BFGS: 194 16:18:54 -650.887087 17.2927 BFGS: 195 16:18:54 -651.600827 17.3447 BFGS: 196 16:18:54 -652.321579 17.3935 BFGS: 197 16:18:54 -653.047579 17.4459 BFGS: 198 16:18:54 -653.778641 17.4896 BFGS: 199 16:18:55 -654.518214 17.6000 BFGS: 200 16:18:55 -655.271509 17.7647 BFGS: 201 16:18:55 -656.038615 17.9105 BFGS: 202 16:18:55 -656.818381 18.0268 BFGS: 203 16:18:55 -657.609160 18.0991 BFGS: 204 16:18:55 -658.408401 18.1156 BFGS: 205 16:18:55 -659.215052 18.0646 BFGS: 206 16:18:55 -659.912620 18.0749 BFGS: 207 16:18:55 -660.470953 18.1581 BFGS: 208 16:18:55 -660.935845 18.2228 BFGS: 209 16:18:55 -661.331576 18.2775 BFGS: 210 16:18:55 -661.672658 18.3233 BFGS: 211 16:18:55 -661.977029 18.3622 BFGS: 212 16:18:55 -662.257992 18.3949 BFGS: 213 16:18:56 -662.514737 18.4314 BFGS: 214 16:18:56 -662.774213 18.4595 BFGS: 215 16:18:56 -663.785948 18.5369 BFGS: 216 16:18:56 -664.060505 18.5566 BFGS: 217 16:18:56 -664.327998 18.5595 BFGS: 218 16:18:56 -664.590675 18.5586 BFGS: 219 16:18:56 -664.850650 18.5567 BFGS: 220 16:18:56 -665.109200 18.5531 BFGS: 221 16:18:56 -665.366992 18.5496 BFGS: 222 16:18:56 -665.620966 18.5372 BFGS: 223 16:18:56 -665.872424 18.5234 BFGS: 224 16:18:56 -666.121938 18.5078 BFGS: 225 16:18:56 -666.369738 18.4908 BFGS: 226 16:18:56 -666.616191 18.5503 BFGS: 227 16:18:57 -666.863078 18.6630 BFGS: 228 16:18:57 -667.111601 18.7807 BFGS: 229 16:18:57 -667.362946 18.9001 BFGS: 230 16:18:57 -667.618027 19.0189 BFGS: 231 16:18:57 -667.877165 19.1381 BFGS: 232 16:18:57 -668.140847 19.2569 BFGS: 233 16:18:57 -668.409625 19.3752 BFGS: 234 16:18:57 -668.683863 19.4915 BFGS: 235 16:18:57 -668.964677 19.6073 BFGS: 236 16:18:57 -669.253740 19.7193 BFGS: 237 16:18:57 -669.551249 19.8268 BFGS: 238 16:18:57 -669.860335 19.9297 BFGS: 239 16:18:57 -670.184130 20.0191 BFGS: 240 16:18:57 -670.525694 20.1005 BFGS: 241 16:18:57 -670.892408 20.1589 BFGS: 242 16:18:57 -671.294740 20.1861 BFGS: 243 16:18:58 -671.752914 20.1568 BFGS: 244 16:18:58 -672.269238 20.0595 BFGS: 245 16:18:58 -672.806151 19.9239 BFGS: 246 16:18:58 -673.344102 19.7696 BFGS: 247 16:18:58 -673.910901 19.6119 BFGS: 248 16:18:58 -674.475097 19.4941 BFGS: 249 16:18:58 -675.066255 19.3761 BFGS: 250 16:18:58 -675.658762 19.3331 BFGS: 251 16:18:58 -676.266764 19.2990 BFGS: 252 16:18:58 -676.876956 19.3288 BFGS: 253 16:18:58 -677.492997 19.3724 BFGS: 254 16:18:58 -678.108650 19.4591 BFGS: 255 16:18:58 -678.724789 19.5613 BFGS: 256 16:18:58 -679.338808 19.6881 BFGS: 257 16:18:58 -679.950904 19.8289 BFGS: 258 16:18:59 -680.560706 19.9838 BFGS: 259 16:18:59 -681.168701 20.1474 BFGS: 260 16:18:59 -681.775661 20.3191 BFGS: 261 16:18:59 -682.382082 20.4954 BFGS: 262 16:19:00 -682.989073 20.6746 BFGS: 263 16:19:00 -683.597273 20.8550 BFGS: 264 16:19:00 -684.207616 21.0348 BFGS: 265 16:19:00 -684.821000 21.2123 BFGS: 266 16:19:00 -685.437377 21.3850 BFGS: 267 16:19:00 -686.058337 21.5549 BFGS: 268 16:19:00 -686.684527 21.7169 BFGS: 269 16:19:00 -687.315903 21.8703 BFGS: 270 16:19:00 -687.953585 22.0145 BFGS: 271 16:19:00 -688.598653 22.1493 BFGS: 272 16:19:01 -689.250791 22.2725 BFGS: 273 16:19:01 -689.911370 22.3823 BFGS: 274 16:19:01 -690.581477 22.4785 BFGS: 275 16:19:01 -691.261976 22.5589 BFGS: 276 16:19:01 -691.953251 22.6229 BFGS: 277 16:19:01 -692.657031 22.6692 BFGS: 278 16:19:01 -693.375037 22.6963 BFGS: 279 16:19:01 -694.108612 22.7047 BFGS: 280 16:19:02 -694.860967 22.6909 BFGS: 281 16:19:02 -695.635110 22.6531 BFGS: 282 16:19:02 -696.435501 22.5904 BFGS: 283 16:19:02 -697.268487 22.5009 BFGS: 284 16:19:02 -698.141317 22.3839 BFGS: 285 16:19:02 -699.062852 22.2337 BFGS: 286 16:19:02 -700.045216 22.0454 BFGS: 287 16:19:03 -701.090226 21.8182 BFGS: 288 16:19:03 -702.126230 21.5609 BFGS: 289 16:19:03 -703.146586 21.2602 BFGS: 290 16:19:03 -704.126056 20.8736 BFGS: 291 16:19:04 -705.031810 20.3459 BFGS: 292 16:19:04 -705.917968 19.6926 BFGS: 293 16:19:05 -706.767744 19.0992 BFGS: 294 16:19:05 -707.616731 18.3218 BFGS: 295 16:19:05 -708.660580 17.6717 BFGS: 296 16:19:05 -709.662692 16.7176 BFGS: 297 16:19:05 -710.599103 15.7350 BFGS: 298 16:19:05 -711.454256 14.7410 BFGS: 299 16:19:06 -712.203162 13.7864 BFGS: 300 16:19:06 -712.863972 12.8574 BFGS: 301 16:19:06 -713.444185 11.9970 BFGS: 302 16:19:06 -713.962450 11.8944 BFGS: 303 16:19:06 -714.428787 11.8420 BFGS: 304 16:19:07 -714.852525 11.7604 BFGS: 305 16:19:07 -715.240273 11.6748 BFGS: 306 16:19:07 -715.597566 11.5889 BFGS: 307 16:19:07 -715.929415 11.5078 BFGS: 308 16:19:07 -716.240513 11.4301 BFGS: 309 16:19:07 -716.535074 11.3541 BFGS: 310 16:19:07 -716.816729 11.2759 BFGS: 311 16:19:07 -717.088466 11.1982 BFGS: 312 16:19:08 -717.352768 11.1195 BFGS: 313 16:19:08 -717.611627 11.0424 BFGS: 314 16:19:08 -717.866254 10.9599 BFGS: 315 16:19:08 -718.118099 10.8782 BFGS: 316 16:19:08 -718.367991 10.7963 BFGS: 317 16:19:08 -718.616521 10.7146 BFGS: 318 16:19:08 -718.864162 10.6334 BFGS: 319 16:19:08 -719.111147 10.5534 BFGS: 320 16:19:08 -719.357689 10.4747 BFGS: 321 16:19:08 -719.604014 10.3996 BFGS: 322 16:19:08 -719.850163 10.3168 BFGS: 323 16:19:08 -720.096067 10.2408 BFGS: 324 16:19:08 -720.341781 10.1672 BFGS: 325 16:19:08 -720.587251 10.0962 BFGS: 326 16:19:08 -720.832528 10.0281 BFGS: 327 16:19:08 -721.077482 9.9617 BFGS: 328 16:19:08 -721.322145 9.8987 BFGS: 329 16:19:08 -721.566229 9.8380 BFGS: 330 16:19:08 -721.809830 9.7813 BFGS: 331 16:19:08 -722.052921 9.7273 BFGS: 332 16:19:08 -722.295285 9.6759 BFGS: 333 16:19:08 -722.536852 9.6281 BFGS: 334 16:19:08 -722.777446 9.5834 BFGS: 335 16:19:09 -723.016970 9.5423 BFGS: 336 16:19:09 -723.255404 9.5047 BFGS: 337 16:19:09 -723.492646 9.4710 BFGS: 338 16:19:09 -723.728668 9.4408 BFGS: 339 16:19:09 -723.963136 9.4147 BFGS: 340 16:19:09 -724.196258 9.3908 BFGS: 341 16:19:09 -724.427598 9.3732 BFGS: 342 16:19:09 -724.657059 9.3495 BFGS: 343 16:19:09 -724.884372 9.3378 BFGS: 344 16:19:09 -725.109779 9.3289 BFGS: 345 16:19:09 -725.333186 9.3232 BFGS: 346 16:19:09 -725.554500 9.3208 BFGS: 347 16:19:09 -725.773678 9.3213 BFGS: 348 16:19:09 -725.990529 9.3237 BFGS: 349 16:19:09 -726.205094 9.3294 BFGS: 350 16:19:09 -726.417391 9.3374 BFGS: 351 16:19:10 -726.627442 9.3472 BFGS: 352 16:19:10 -726.835295 9.3585 BFGS: 353 16:19:10 -727.041027 9.3708 BFGS: 354 16:19:10 -727.244737 9.3835 BFGS: 355 16:19:10 -727.446571 9.3961 BFGS: 356 16:19:10 -727.646589 9.4406 BFGS: 357 16:19:10 -727.844991 9.4892 BFGS: 358 16:19:10 -728.041926 9.5399 BFGS: 359 16:19:11 -728.237545 9.5924 BFGS: 360 16:19:11 -728.432069 9.6409 BFGS: 361 16:19:11 -728.625238 9.6971 BFGS: 362 16:19:11 -728.817534 9.7535 BFGS: 363 16:19:11 -729.009036 9.8105 BFGS: 364 16:19:11 -729.199832 9.8678 BFGS: 365 16:19:11 -729.390017 9.9295 BFGS: 366 16:19:11 -729.579544 9.9910 BFGS: 367 16:19:12 -729.768562 10.0420 BFGS: 368 16:19:12 -729.956702 10.0974 BFGS: 369 16:19:12 -730.144554 10.1519 BFGS: 370 16:19:12 -730.332173 10.2053 BFGS: 371 16:19:12 -730.519567 10.2575 BFGS: 372 16:19:12 -730.707023 10.3082 BFGS: 373 16:19:12 -730.894084 10.3580 BFGS: 374 16:19:12 -731.080870 10.4046 BFGS: 375 16:19:13 -731.267659 10.4510 BFGS: 376 16:19:13 -731.454503 10.4948 BFGS: 377 16:19:13 -731.641549 10.5367 BFGS: 378 16:19:13 -731.828616 10.5755 BFGS: 379 16:19:13 -732.015836 10.6130 BFGS: 380 16:19:13 -732.203205 10.6472 BFGS: 381 16:19:13 -732.390754 10.6793 BFGS: 382 16:19:13 -732.578485 10.7086 BFGS: 383 16:19:13 -732.766387 10.7351 BFGS: 384 16:19:14 -732.954448 10.7585 BFGS: 385 16:19:14 -733.142649 10.7789 BFGS: 386 16:19:14 -733.330974 10.7960 BFGS: 387 16:19:14 -733.519385 10.8101 BFGS: 388 16:19:14 -733.707674 10.8211 BFGS: 389 16:19:14 -733.896091 10.8277 BFGS: 390 16:19:14 -734.084478 10.8314 BFGS: 391 16:19:14 -734.272796 10.8314 BFGS: 392 16:19:15 -734.461034 10.8275 BFGS: 393 16:19:15 -734.648984 10.8200 BFGS: 394 16:19:15 -734.836475 10.8088 BFGS: 395 16:19:15 -735.023734 10.7926 BFGS: 396 16:19:15 -735.210492 10.7741 BFGS: 397 16:19:15 -735.396664 10.7537 BFGS: 398 16:19:15 -735.582340 10.7275 BFGS: 399 16:19:15 -735.767055 10.8107 BFGS: 400 16:19:15 -735.951048 10.9244 BFGS: 401 16:19:15 -736.134238 11.0332 BFGS: 402 16:19:16 -736.316177 11.1492 BFGS: 403 16:19:16 -736.497063 11.2546 BFGS: 404 16:19:16 -736.676686 11.3587 BFGS: 405 16:19:16 -736.854953 11.4586 BFGS: 406 16:19:16 -737.031746 11.5558 BFGS: 407 16:19:16 -737.206968 11.6495 BFGS: 408 16:19:16 -737.380303 11.7425 BFGS: 409 16:19:16 -737.551839 11.8313 BFGS: 410 16:19:17 -737.721526 11.9098 BFGS: 411 16:19:17 -737.889114 12.0064 BFGS: 412 16:19:17 -738.054628 12.0826 BFGS: 413 16:19:17 -738.218051 12.1566 BFGS: 414 16:19:17 -738.379429 12.2252 BFGS: 415 16:19:17 -738.538674 12.2926 BFGS: 416 16:19:17 -738.695774 12.3562 BFGS: 417 16:19:17 -738.850698 12.4177 BFGS: 418 16:19:17 -739.003450 12.4761 BFGS: 419 16:19:18 -739.154153 12.5322 BFGS: 420 16:19:18 -739.302088 12.5891 BFGS: 421 16:19:18 -739.448113 12.6352 BFGS: 422 16:19:18 -739.592144 12.6846 BFGS: 423 16:19:18 -739.734358 12.7285 BFGS: 424 16:19:18 -739.874475 12.7690 BFGS: 425 16:19:18 -740.012833 12.8088 BFGS: 426 16:19:18 -740.149755 12.8467 BFGS: 427 16:19:19 -740.284976 12.8788 BFGS: 428 16:19:19 -740.418850 12.9190 BFGS: 429 16:19:19 -740.551454 12.9488 BFGS: 430 16:19:19 -740.683201 12.9826 BFGS: 431 16:19:19 -740.812434 13.0117 BFGS: 432 16:19:19 -740.941110 13.0358 BFGS: 433 16:19:19 -741.069078 13.0577 BFGS: 434 16:19:19 -741.196480 13.0794 BFGS: 435 16:19:20 -741.323448 13.0983 BFGS: 436 16:19:20 -741.449964 13.1167 BFGS: 437 16:19:20 -741.576296 13.1311 BFGS: 438 16:19:20 -741.702612 13.1451 BFGS: 439 16:19:20 -741.828615 13.1541 BFGS: 440 16:19:20 -741.954986 13.1617 BFGS: 441 16:19:20 -742.081773 13.1686 BFGS: 442 16:19:20 -742.209015 13.1743 BFGS: 443 16:19:21 -742.336644 13.1763 BFGS: 444 16:19:21 -742.465173 13.1783 BFGS: 445 16:19:21 -742.594543 13.1733 BFGS: 446 16:19:21 -742.724897 13.1697 BFGS: 447 16:19:21 -742.856503 13.1661 BFGS: 448 16:19:21 -742.988944 13.1545 BFGS: 449 16:19:21 -743.122688 13.1373 BFGS: 450 16:19:21 -743.257949 13.1207 BFGS: 451 16:19:22 -743.394789 13.0998 BFGS: 452 16:19:22 -743.533336 13.0764 BFGS: 453 16:19:22 -743.673599 13.0469 BFGS: 454 16:19:22 -743.815169 13.0127 BFGS: 455 16:19:22 -743.958689 12.9765 BFGS: 456 16:19:22 -744.103713 12.9394 BFGS: 457 16:19:22 -744.250195 12.8959 BFGS: 458 16:19:22 -744.397980 12.8459 BFGS: 459 16:19:22 -744.547693 12.7869 BFGS: 460 16:19:22 -744.698512 12.7280 BFGS: 461 16:19:22 -744.850599 12.6633 BFGS: 462 16:19:23 -745.003731 12.5937 BFGS: 463 16:19:23 -745.158234 12.5154 BFGS: 464 16:19:23 -745.312969 12.4362 BFGS: 465 16:19:23 -745.468568 12.3462 BFGS: 466 16:19:23 -745.624016 12.2551 BFGS: 467 16:19:23 -745.779236 12.1577 BFGS: 468 16:19:23 -745.933730 12.0541 BFGS: 469 16:19:23 -746.087808 11.9443 BFGS: 470 16:19:23 -746.240844 11.8323 BFGS: 471 16:19:23 -746.392417 11.7161 BFGS: 472 16:19:23 -746.542179 11.5962 BFGS: 473 16:19:23 -746.690385 11.6396 BFGS: 474 16:19:23 -746.835818 11.6962 BFGS: 475 16:19:24 -746.979122 11.7488 BFGS: 476 16:19:24 -747.119244 11.8094 BFGS: 477 16:19:24 -747.256787 11.8692 BFGS: 478 16:19:24 -747.391309 11.9331 BFGS: 479 16:19:24 -747.522803 11.9971 BFGS: 480 16:19:24 -747.651082 12.0647 BFGS: 481 16:19:24 -747.776159 12.1337 BFGS: 482 16:19:24 -747.897937 12.2058 BFGS: 483 16:19:24 -748.016461 12.2806 BFGS: 484 16:19:24 -748.131708 12.3595 BFGS: 485 16:19:24 -748.243790 12.4404 BFGS: 486 16:19:24 -748.352708 12.5272 BFGS: 487 16:19:24 -748.458374 12.6157 BFGS: 488 16:19:25 -748.561311 12.7058 BFGS: 489 16:19:25 -748.660833 12.8018 BFGS: 490 16:19:25 -748.758650 12.8840 BFGS: 491 16:19:25 -748.852870 12.9942 BFGS: 492 16:19:25 -748.945586 13.0861 BFGS: 493 16:19:25 -749.035729 13.1951 BFGS: 494 16:19:25 -749.124103 13.2889 BFGS: 495 16:19:25 -749.210029 13.3997 BFGS: 496 16:19:25 -749.294813 13.4989 BFGS: 497 16:19:25 -749.377532 13.6061 BFGS: 498 16:19:26 -749.459161 13.7068 BFGS: 499 16:19:26 -749.539244 13.8135 BFGS: 500 16:19:26 -749.618364 13.9111 BFGS: 501 16:19:26 -749.696394 14.0133 BFGS: 502 16:19:26 -749.773795 14.1077 BFGS: 503 16:19:26 -749.850150 14.2044 BFGS: 504 16:19:26 -749.926238 14.2925 BFGS: 505 16:19:26 -750.001686 14.3822 BFGS: 506 16:19:26 -750.077113 14.4619 BFGS: 507 16:19:26 -750.152059 14.5442 BFGS: 508 16:19:26 -750.226980 14.6127 BFGS: 509 16:19:26 -750.301884 14.6838 BFGS: 510 16:19:26 -750.376578 14.7501 BFGS: 511 16:19:27 -750.451964 14.8027 BFGS: 512 16:19:27 -750.526985 14.8569 BFGS: 513 16:19:27 -750.602956 14.8973 BFGS: 514 16:19:27 -750.678512 14.9327 BFGS: 515 16:19:27 -750.755694 14.9570 BFGS: 516 16:19:27 -750.832927 14.9817 BFGS: 517 16:19:27 -750.912240 14.9866 BFGS: 518 16:19:27 -750.990055 14.9996 BFGS: 519 16:19:27 -751.070656 14.9812 BFGS: 520 16:19:27 -751.150940 14.9825 BFGS: 521 16:19:28 -751.233706 14.9431 BFGS: 522 16:19:28 -751.315437 14.9291 BFGS: 523 16:19:28 -751.401049 14.8682 BFGS: 524 16:19:28 -751.486361 14.8316 BFGS: 525 16:19:28 -751.575512 14.7502 BFGS: 526 16:19:28 -751.665083 14.6827 BFGS: 527 16:19:28 -751.759060 14.5745 BFGS: 528 16:19:28 -751.854070 14.4744 BFGS: 529 16:19:29 -751.954224 14.3334 BFGS: 530 16:19:29 -752.056333 14.1940 BFGS: 531 16:19:29 -752.164235 14.0180 BFGS: 532 16:19:29 -752.275713 13.8269 BFGS: 533 16:19:29 -752.395408 13.5941 BFGS: 534 16:19:29 -752.520428 13.3356 BFGS: 535 16:19:29 -752.657529 13.0217 BFGS: 536 16:19:29 -752.803278 12.6573 BFGS: 537 16:19:30 -752.968508 12.2149 BFGS: 538 16:19:30 -753.147219 11.9960 BFGS: 539 16:19:30 -753.339004 12.1875 BFGS: 540 16:19:30 -753.524649 12.3318 BFGS: 541 16:19:30 -753.713011 12.5126 BFGS: 542 16:19:30 -753.892268 12.4783 BFGS: 543 16:19:30 -754.003383 12.5051 BFGS: 544 16:19:30 -754.106030 12.3018 BFGS: 545 16:19:31 -754.212965 12.1528 BFGS: 546 16:19:31 -754.329564 11.9441 BFGS: 547 16:19:31 -754.458481 11.7544 BFGS: 548 16:19:31 -754.598212 11.5607 BFGS: 549 16:19:31 -754.748709 11.3894 BFGS: 550 16:19:31 -754.906654 11.2392 BFGS: 551 16:19:31 -755.070533 11.1188 BFGS: 552 16:19:31 -755.237493 11.0262 BFGS: 553 16:19:31 -755.406326 10.9623 BFGS: 554 16:19:32 -755.575568 10.9227 BFGS: 555 16:19:32 -755.744596 10.9064 BFGS: 556 16:19:32 -755.913058 10.9065 BFGS: 557 16:19:32 -756.080565 10.9261 BFGS: 558 16:19:32 -756.247314 10.9581 BFGS: 559 16:19:32 -756.412517 11.0037 BFGS: 560 16:19:32 -756.577602 11.0565 BFGS: 561 16:19:32 -756.740469 11.1214 BFGS: 562 16:19:33 -756.904302 11.1887 BFGS: 563 16:19:33 -757.065199 11.2678 BFGS: 564 16:19:33 -757.227188 11.3463 BFGS: 565 16:19:33 -757.386766 11.4339 BFGS: 566 16:19:33 -757.547241 11.5233 BFGS: 567 16:19:33 -757.706105 11.6186 BFGS: 568 16:19:34 -757.865159 11.7157 BFGS: 569 16:19:34 -758.023153 11.8168 BFGS: 570 16:19:34 -758.181290 11.9197 BFGS: 571 16:19:34 -758.338554 12.0263 BFGS: 572 16:19:34 -758.495443 12.1405 BFGS: 573 16:19:34 -758.651850 12.2509 BFGS: 574 16:19:34 -758.808282 12.3634 BFGS: 575 16:19:34 -758.963962 12.4797 BFGS: 576 16:19:34 -759.119834 12.5976 BFGS: 577 16:19:34 -759.274912 12.7186 BFGS: 578 16:19:34 -759.430530 12.8433 BFGS: 579 16:19:35 -759.584125 12.9690 BFGS: 580 16:19:35 -759.739257 13.0946 BFGS: 581 16:19:35 -759.892644 13.2254 BFGS: 582 16:19:35 -760.046433 13.3590 BFGS: 583 16:19:35 -760.200116 13.4945 BFGS: 584 16:19:35 -760.353552 13.6327 BFGS: 585 16:19:35 -760.506357 13.7733 BFGS: 586 16:19:35 -760.658950 13.9466 BFGS: 587 16:19:35 -760.810911 14.1602 BFGS: 588 16:19:36 -760.962741 14.3766 BFGS: 589 16:19:36 -761.113709 14.5958 BFGS: 590 16:19:36 -761.265008 14.8196 BFGS: 591 16:19:36 -761.414660 15.0486 BFGS: 592 16:19:36 -761.565137 15.2705 BFGS: 593 16:19:36 -761.713545 15.5091 BFGS: 594 16:19:36 -761.863368 15.7282 BFGS: 595 16:19:36 -762.010788 15.9727 BFGS: 596 16:19:36 -762.159618 16.1989 BFGS: 597 16:19:36 -762.305928 16.4445 BFGS: 598 16:19:36 -762.454043 16.6764 BFGS: 599 16:19:37 -762.599896 16.9212 BFGS: 600 16:19:37 -762.747137 17.1599 BFGS: 601 16:19:37 -762.891979 17.4041 BFGS: 602 16:19:37 -763.038615 17.6427 BFGS: 603 16:19:37 -763.183603 17.9703 BFGS: 604 16:19:37 -763.330104 18.3612 BFGS: 605 16:19:37 -763.475613 18.7546 BFGS: 606 16:19:37 -763.622320 19.1532 BFGS: 607 16:19:37 -763.768649 19.5478 BFGS: 608 16:19:37 -763.916442 19.9486 BFGS: 609 16:19:37 -764.064009 20.3446 BFGS: 610 16:19:37 -764.213299 20.7446 BFGS: 611 16:19:37 -764.362815 21.1450 BFGS: 612 16:19:38 -764.513735 21.5426 BFGS: 613 16:19:38 -764.665347 21.9325 BFGS: 614 16:19:38 -764.818854 22.3253 BFGS: 615 16:19:38 -764.973138 22.7024 BFGS: 616 16:19:38 -765.129093 23.0897 BFGS: 617 16:19:38 -765.285998 23.4646 BFGS: 618 16:19:38 -765.445006 23.8394 BFGS: 619 16:19:38 -765.604664 24.2039 BFGS: 620 16:19:38 -765.766839 24.5680 BFGS: 621 16:19:38 -765.925831 24.9301 BFGS: 622 16:19:38 -766.089608 25.2758 BFGS: 623 16:19:38 -766.250185 25.6167 BFGS: 624 16:19:38 -766.413157 25.9557 BFGS: 625 16:19:38 -766.575758 26.2880 BFGS: 626 16:19:38 -766.740412 26.6038 BFGS: 627 16:19:38 -766.905314 26.9201 BFGS: 628 16:19:38 -767.070530 27.2214 BFGS: 629 16:19:38 -767.236213 27.5213 BFGS: 630 16:19:39 -767.402224 27.8061 BFGS: 631 16:19:39 -767.568432 28.0918 BFGS: 632 16:19:39 -767.734887 28.3640 BFGS: 633 16:19:39 -767.899604 28.6418 BFGS: 634 16:19:39 -768.064371 28.8948 BFGS: 635 16:19:39 -768.228881 29.1555 BFGS: 636 16:19:39 -768.393725 29.4030 BFGS: 637 16:19:39 -768.558358 29.6529 BFGS: 638 16:19:39 -768.723121 29.8919 BFGS: 639 16:19:39 -768.887891 30.1320 BFGS: 640 16:19:39 -769.052701 30.3636 BFGS: 641 16:19:39 -769.217659 30.5960 BFGS: 642 16:19:39 -769.382766 30.8215 BFGS: 643 16:19:39 -769.547709 31.0500 BFGS: 644 16:19:39 -769.713591 31.2699 BFGS: 645 16:19:40 -769.880415 31.4908 BFGS: 646 16:19:40 -770.048480 31.7004 BFGS: 647 16:19:40 -770.216417 31.9165 BFGS: 648 16:19:40 -770.387254 32.1234 BFGS: 649 16:19:40 -770.559100 32.3311 BFGS: 650 16:19:40 -770.734189 32.5394 BFGS: 651 16:19:40 -770.911558 32.7382 BFGS: 652 16:19:40 -771.092713 32.9431 BFGS: 653 16:19:40 -771.276788 33.1369 BFGS: 654 16:19:40 -771.465490 33.3393 BFGS: 655 16:19:40 -771.657718 33.5290 BFGS: 656 16:19:41 -771.855531 33.7297 BFGS: 657 16:19:41 -772.056012 33.9118 BFGS: 658 16:19:41 -772.264326 34.1145 BFGS: 659 16:19:41 -772.475811 34.2914 BFGS: 660 16:19:41 -772.696169 34.4950 BFGS: 661 16:19:41 -772.920351 34.6689 BFGS: 662 16:19:41 -773.151828 34.8717 BFGS: 663 16:19:41 -773.388990 35.0468 BFGS: 664 16:19:41 -773.635267 35.2450 BFGS: 665 16:19:41 -773.887347 35.4186 BFGS: 666 16:19:41 -774.149187 35.6140 BFGS: 667 16:19:41 -774.416870 35.7857 BFGS: 668 16:19:41 -774.694966 35.9786 BFGS: 669 16:19:41 -774.977632 36.1475 BFGS: 670 16:19:41 -775.272098 36.3395 BFGS: 671 16:19:41 -775.570608 36.5023 BFGS: 672 16:19:41 -775.880726 36.6946 BFGS: 673 16:19:41 -776.194047 36.8602 BFGS: 674 16:19:41 -776.520380 37.0551 BFGS: 675 16:19:41 -776.847829 37.2119 BFGS: 676 16:19:42 -777.190059 37.4074 BFGS: 677 16:19:42 -777.530469 37.5644 BFGS: 678 16:19:42 -777.887017 37.7664 BFGS: 679 16:19:42 -778.240408 37.9203 BFGS: 680 16:19:42 -778.611646 38.1264 BFGS: 681 16:19:42 -778.978127 38.2827 BFGS: 682 16:19:42 -779.359798 38.4917 BFGS: 683 16:19:42 -779.738923 38.6556 BFGS: 684 16:19:42 -780.133147 38.8642 BFGS: 685 16:19:42 -780.526579 39.0310 BFGS: 686 16:19:42 -780.932794 39.2393 BFGS: 687 16:19:42 -781.340735 39.4067 BFGS: 688 16:19:42 -781.758964 39.6143 BFGS: 689 16:19:42 -782.180632 39.7844 BFGS: 690 16:19:42 -782.611787 39.9870 BFGS: 691 16:19:42 -783.048362 40.1548 BFGS: 692 16:19:42 -783.493720 40.3549 BFGS: 693 16:19:42 -783.945756 40.5099 BFGS: 694 16:19:42 -784.405631 40.7098 BFGS: 695 16:19:42 -784.875177 40.8616 BFGS: 696 16:19:42 -785.353783 41.0443 BFGS: 697 16:19:43 -785.845891 41.1792 BFGS: 698 16:19:43 -786.346997 41.3414 BFGS: 699 16:19:43 -786.865872 41.4527 BFGS: 700 16:19:43 -787.397934 41.5924 BFGS: 701 16:19:43 -787.953346 41.6587 BFGS: 702 16:19:43 -788.530416 41.7596 BFGS: 703 16:19:43 -789.137669 41.7604 BFGS: 704 16:19:43 -789.774875 41.8031 BFGS: 705 16:19:43 -790.366545 41.6807 BFGS: 706 16:19:43 -790.940441 41.6418 BFGS: 707 16:19:43 -791.492307 41.3535 BFGS: 708 16:19:43 -792.052163 41.2340 BFGS: 709 16:19:43 -792.602073 40.7367 BFGS: 710 16:19:43 -793.181308 40.5485 BFGS: 711 16:19:43 -793.757556 39.8064 BFGS: 712 16:19:43 -794.382301 39.5070 BFGS: 713 16:19:43 -795.008543 38.5339 BFGS: 714 16:19:43 -795.696515 37.9848 BFGS: 715 16:19:43 -796.365119 36.8554 BFGS: 716 16:19:43 -797.082280 35.9454 BFGS: 717 16:19:43 -797.812510 34.5813 BFGS: 718 16:19:43 -798.624634 33.1981 BFGS: 719 16:19:44 -799.502920 31.3211 BFGS: 720 16:19:44 -800.500725 29.1502 BFGS: 721 16:19:44 -801.502301 26.5461 BFGS: 722 16:19:44 -802.365869 24.2662 BFGS: 723 16:19:44 -803.079828 22.2476 BFGS: 724 16:19:44 -803.695562 20.5718 BFGS: 725 16:19:44 -804.235544 18.9510 BFGS: 726 16:19:44 -804.713946 17.4314 BFGS: 727 16:19:44 -805.113133 16.0175 BFGS: 728 16:19:44 -805.455443 14.8101 BFGS: 729 16:19:44 -805.776751 13.6770 BFGS: 730 16:19:44 -806.091860 12.6841 BFGS: 731 16:19:44 -806.413537 11.7253 BFGS: 732 16:19:44 -806.744483 10.9172 BFGS: 733 16:19:44 -807.099360 11.3359 BFGS: 734 16:19:44 -807.410084 11.7355 BFGS: 735 16:19:44 -807.559571 11.7344 BFGS: 736 16:19:44 -807.789925 11.2416 BFGS: 737 16:19:44 -807.985408 11.0062 BFGS: 738 16:19:45 -808.185231 10.8013 BFGS: 739 16:19:45 -808.361319 10.5092 BFGS: 740 16:19:45 -808.538061 10.2940 BFGS: 741 16:19:45 -808.707875 10.0309 BFGS: 742 16:19:45 -808.896192 10.3795 BFGS: 743 16:19:45 -809.109769 10.8702 BFGS: 744 16:19:45 -809.381458 11.7564 BFGS: 745 16:19:45 -809.743243 12.9934 BFGS: 746 16:19:45 -810.205884 14.8595 BFGS: 747 16:19:45 -810.593629 14.9914 BFGS: 748 16:19:45 -810.829096 14.9494 BFGS: 749 16:19:45 -810.993122 14.0360 BFGS: 750 16:19:45 -811.131446 13.5191 BFGS: 751 16:19:45 -811.212441 12.0172 BFGS: 752 16:19:45 -811.257727 11.6259 BFGS: 753 16:19:45 -811.328020 11.1862 BFGS: 754 16:19:45 -811.383552 10.9923 BFGS: 755 16:19:45 -811.435159 10.8908 BFGS: 756 16:19:45 -811.484495 10.8002 BFGS: 757 16:19:45 -811.531621 10.7075 BFGS: 758 16:19:46 -811.575643 10.5751 BFGS: 759 16:19:46 -811.616399 10.4223 BFGS: 760 16:19:46 -811.652842 10.2273 BFGS: 761 16:19:46 -811.685665 9.9973 BFGS: 762 16:19:46 -811.711512 9.8090 BFGS: 763 16:19:46 -811.738666 9.5633 BFGS: 764 16:19:46 -811.763961 9.5723 BFGS: 765 16:19:46 -811.801499 9.4497 BFGS: 766 16:19:46 -811.822170 9.7390 BFGS: 767 16:19:46 -811.897011 10.3717 BFGS: 768 16:19:46 -811.947888 10.5053 BFGS: 769 16:19:46 -812.012889 10.5382 BFGS: 770 16:19:46 -812.087244 10.4707 BFGS: 771 16:19:46 -812.173208 10.3732 BFGS: 772 16:19:46 -812.273326 10.2179 BFGS: 773 16:19:46 -812.388151 10.0335 BFGS: 774 16:19:46 -812.518783 9.7937 BFGS: 775 16:19:46 -812.651764 9.5396 BFGS: 776 16:19:47 -812.778642 9.2934 BFGS: 777 16:19:47 -812.898089 9.0487 BFGS: 778 16:19:47 -813.010400 8.8214 BFGS: 779 16:19:47 -813.114632 8.6077 BFGS: 780 16:19:47 -813.210266 8.4158 BFGS: 781 16:19:47 -813.296144 8.2639 BFGS: 782 16:19:47 -813.372192 8.1531 BFGS: 783 16:19:47 -813.437711 8.1268 BFGS: 784 16:19:47 -813.478419 8.2360 BFGS: 785 16:19:47 -813.513488 8.4899 BFGS: 786 16:19:47 -813.547220 8.9282 BFGS: 787 16:19:47 -813.567627 9.3265 BFGS: 788 16:19:47 -813.582819 9.6461 BFGS: 789 16:19:47 -813.592210 9.8175 BFGS: 790 16:19:47 -813.600433 9.9270 BFGS: 791 16:19:47 -813.606289 9.9869 BFGS: 792 16:19:47 -813.610327 10.0078 BFGS: 793 16:19:47 -813.612803 10.0327 BFGS: 794 16:19:47 -813.614371 10.0428 BFGS: 795 16:19:48 -813.615481 10.0563 BFGS: 796 16:19:48 -813.616501 10.0624 BFGS: 797 16:19:48 -813.617468 10.0530 BFGS: 798 16:19:48 -813.618294 10.0337 BFGS: 799 16:19:48 -813.618876 10.0061 BFGS: 800 16:19:48 -813.619260 9.9886 BFGS: 801 16:19:48 -813.619488 9.9772 BFGS: 802 16:19:48 -813.619635 9.9780 BFGS: 803 16:19:48 -813.619711 9.9808 BFGS: 804 16:19:48 -813.619759 9.9895 BFGS: 805 16:19:48 -813.619776 9.9927 BFGS: 806 16:19:48 -813.619808 10.0021 BFGS: 807 16:19:48 -813.619824 10.0050 BFGS: 808 16:19:48 -813.619893 10.0139 BFGS: 809 16:19:48 -813.620026 10.0243 BFGS: 810 16:19:48 -813.620391 10.0422 BFGS: 811 16:19:48 -813.621306 10.0696 BFGS: 812 16:19:48 -813.623745 10.1147 BFGS: 813 16:19:48 -813.630065 10.1854 BFGS: 814 16:19:48 -813.646691 10.2948 BFGS: 815 16:19:49 -813.689919 10.4532 BFGS: 816 16:19:49 -813.801950 10.6516 BFGS: 817 16:19:49 -814.010839 10.7654 BFGS: 818 16:19:49 -814.335256 10.7055 BFGS: 819 16:19:49 -814.792721 10.4396 BFGS: 820 16:19:49 -815.396346 9.9305 BFGS: 821 16:19:49 -816.127299 9.1567 BFGS: 822 16:19:49 -816.758697 8.3549 BFGS: 823 16:19:49 -817.276102 7.6109 BFGS: 824 16:19:49 -817.709308 6.9308 BFGS: 825 16:19:49 -818.085853 6.2823 BFGS: 826 16:19:49 -818.408944 5.6827 BFGS: 827 16:19:49 -818.688969 5.1053 BFGS: 828 16:19:49 -818.927572 4.7514 BFGS: 829 16:19:49 -819.128210 4.7410 BFGS: 830 16:19:49 -819.295122 4.6897 BFGS: 831 16:19:49 -819.430304 4.6584 BFGS: 832 16:19:49 -819.540928 4.6015 BFGS: 833 16:19:49 -819.628931 4.5719 BFGS: 834 16:19:49 -819.698124 4.5096 BFGS: 835 16:19:49 -819.752303 4.5517 BFGS: 836 16:19:49 -819.795852 4.8749 BFGS: 837 16:19:49 -819.829582 5.2030 BFGS: 838 16:19:49 -819.856272 5.5227 BFGS: 839 16:19:50 -819.874113 5.9006 BFGS: 840 16:19:50 -819.885267 6.1509 BFGS: 841 16:19:50 -819.890720 6.3783 BFGS: 842 16:19:50 -819.893932 6.4790 BFGS: 843 16:19:50 -819.896137 6.5354 BFGS: 844 16:19:50 -819.897130 6.5352 BFGS: 845 16:19:50 -819.897786 6.5300 BFGS: 846 16:19:50 -819.897997 6.5332 BFGS: 847 16:19:50 -819.898290 6.5643 BFGS: 848 16:19:50 -819.898398 6.5960 BFGS: 849 16:19:50 -819.898498 6.6472 BFGS: 850 16:19:50 -819.898532 6.6671 BFGS: 851 16:19:50 -819.898553 6.6808 BFGS: 852 16:19:50 -819.898562 6.6848 BFGS: 853 16:19:50 -819.898567 6.6872 BFGS: 854 16:19:50 -819.898569 6.6870 BFGS: 855 16:19:50 -819.898570 6.6857 BFGS: 856 16:19:50 -819.898570 6.6853 BFGS: 857 16:19:51 -819.898571 6.6844 BFGS: 858 16:19:51 -819.898572 6.6836 BFGS: 859 16:19:51 -819.898574 6.6819 BFGS: 860 16:19:51 -819.898580 6.6793 BFGS: 861 16:19:51 -819.898596 6.6749 BFGS: 862 16:19:51 -819.898638 6.6679 BFGS: 863 16:19:51 -819.898749 6.6565 BFGS: 864 16:19:51 -819.899037 6.6385 BFGS: 865 16:19:51 -819.899791 6.6105 BFGS: 866 16:19:51 -819.901767 6.5684 BFGS: 867 16:19:51 -819.906950 6.5073 BFGS: 868 16:19:51 -819.920523 6.4360 BFGS: 869 16:19:51 -819.957079 6.3766 BFGS: 870 16:19:51 -820.032677 6.4387 BFGS: 871 16:19:51 -820.138100 6.5714 BFGS: 872 16:19:51 -820.290383 6.6593 BFGS: 873 16:19:51 -820.497452 6.6764 BFGS: 874 16:19:51 -820.768130 6.5973 BFGS: 875 16:19:51 -821.101998 6.8989 BFGS: 876 16:19:51 -821.511349 7.1652 BFGS: 877 16:19:51 -821.886008 7.4271 BFGS: 878 16:19:51 -822.320727 7.5881 BFGS: 879 16:19:52 -822.806226 7.7750 BFGS: 880 16:19:52 -823.277498 7.8669 BFGS: 881 16:19:52 -823.779724 7.9212 BFGS: 882 16:19:52 -824.247095 7.9141 BFGS: 883 16:19:52 -824.692488 7.8765 BFGS: 884 16:19:52 -825.083583 7.8079 BFGS: 885 16:19:52 -825.437881 7.7260 BFGS: 886 16:19:52 -825.758854 7.7048 BFGS: 887 16:19:52 -826.068615 7.6320 BFGS: 888 16:19:52 -826.367025 7.5385 BFGS: 889 16:19:52 -826.643276 7.4074 BFGS: 890 16:19:52 -826.909977 7.2629 BFGS: 891 16:19:52 -827.159249 7.0789 BFGS: 892 16:19:52 -827.395242 6.8948 BFGS: 893 16:19:52 -827.617581 6.6926 BFGS: 894 16:19:52 -827.826911 6.5374 BFGS: 895 16:19:52 -828.022427 6.3950 BFGS: 896 16:19:52 -828.207202 6.2358 BFGS: 897 16:19:52 -828.382371 6.0775 BFGS: 898 16:19:52 -828.544428 5.9184 BFGS: 899 16:19:52 -828.695176 5.7595 BFGS: 900 16:19:52 -828.830909 5.6091 BFGS: 901 16:19:52 -828.959975 5.4598 BFGS: 902 16:19:52 -829.076859 5.3068 BFGS: 903 16:19:53 -829.185758 5.2765 BFGS: 904 16:19:53 -829.283631 5.2077 BFGS: 905 16:19:53 -829.373242 5.2244 BFGS: 906 16:19:53 -829.453187 5.1307 BFGS: 907 16:19:53 -829.527702 5.1566 BFGS: 908 16:19:53 -829.594768 5.0194 BFGS: 909 16:19:53 -829.655103 5.0553 BFGS: 910 16:19:53 -829.710659 4.8748 BFGS: 911 16:19:53 -829.761825 4.9352 BFGS: 912 16:19:53 -829.809400 4.7497 BFGS: 913 16:19:53 -829.853221 4.7514 BFGS: 914 16:19:53 -829.895816 4.5563 BFGS: 915 16:19:53 -829.936168 4.5152 BFGS: 916 16:19:53 -829.976286 4.3052 BFGS: 917 16:19:53 -830.015317 4.2173 BFGS: 918 16:19:53 -830.056604 3.9774 BFGS: 919 16:19:53 -830.099538 3.8473 BFGS: 920 16:19:53 -830.146031 3.6565 BFGS: 921 16:19:53 -830.198366 3.6543 BFGS: 922 16:19:53 -830.258663 3.6532 BFGS: 923 16:19:53 -830.337138 3.7375 BFGS: 924 16:19:54 -830.421138 3.7057 BFGS: 925 16:19:54 -830.451252 3.7850 BFGS: 926 16:19:54 -830.474880 3.8228 BFGS: 927 16:19:54 -830.495958 3.7929 BFGS: 928 16:19:54 -830.512679 3.7985 BFGS: 929 16:19:54 -830.527212 3.7632 BFGS: 930 16:19:54 -830.538597 3.7455 BFGS: 931 16:19:54 -830.548040 3.6923 BFGS: 932 16:19:54 -830.554890 3.6474 BFGS: 933 16:19:54 -830.560008 3.5679 BFGS: 934 16:19:54 -830.563695 3.4811 BFGS: 935 16:19:54 -830.566942 3.3416 BFGS: 936 16:19:54 -830.570861 3.1946 BFGS: 937 16:19:54 -830.579198 2.9633 BFGS: 938 16:19:54 -830.603532 3.1197 BFGS: 939 16:19:54 -830.676581 3.5142 BFGS: 940 16:19:54 -830.848980 4.1224 BFGS: 941 16:19:54 -831.136171 4.8246 BFGS: 942 16:19:54 -831.521485 5.6066 BFGS: 943 16:19:54 -831.909748 6.3266 BFGS: 944 16:19:54 -832.053660 6.4618 BFGS: 945 16:19:55 -832.122496 6.3066 BFGS: 946 16:19:55 -832.159534 6.0918 BFGS: 947 16:19:55 -832.203582 5.9143 BFGS: 948 16:19:55 -832.238443 5.6183 BFGS: 949 16:19:55 -832.268676 5.4744 BFGS: 950 16:19:55 -832.289193 5.3137 BFGS: 951 16:19:55 -832.300357 5.3869 BFGS: 952 16:19:55 -832.305877 5.4608 BFGS: 953 16:19:55 -832.310105 5.5227 BFGS: 954 16:19:55 -832.315115 5.7672 BFGS: 955 16:19:55 -832.318864 5.6998 BFGS: 956 16:19:55 -832.324154 5.7455 BFGS: 957 16:19:55 -832.328079 5.5090 BFGS: 958 16:19:55 -832.330355 5.4316 BFGS: 959 16:19:55 -832.331419 5.3748 BFGS: 960 16:19:55 -832.332072 5.3949 BFGS: 961 16:19:55 -832.332510 5.4132 BFGS: 962 16:19:55 -832.332774 5.4399 BFGS: 963 16:19:55 -832.332943 5.4477 BFGS: 964 16:19:55 -832.333033 5.4492 BFGS: 965 16:19:55 -832.333082 5.4407 BFGS: 966 16:19:55 -832.333105 5.4341 BFGS: 967 16:19:56 -832.333118 5.4252 BFGS: 968 16:19:56 -832.333123 5.4215 BFGS: 969 16:19:56 -832.333128 5.4160 BFGS: 970 16:19:56 -832.333129 5.4158 BFGS: 971 16:19:56 -832.333130 5.4164 BFGS: 972 16:19:56 -832.333130 5.4173 BFGS: 973 16:19:56 -832.333131 5.4185 BFGS: 974 16:19:56 -832.333131 5.4188 BFGS: 975 16:19:56 -832.333131 5.4206 BFGS: 976 16:19:56 -832.333133 5.4224 BFGS: 977 16:19:56 -832.333136 5.4259 BFGS: 978 16:19:56 -832.333145 5.4310 BFGS: 979 16:19:56 -832.333169 5.4395 BFGS: 980 16:19:56 -832.333232 5.4531 BFGS: 981 16:19:56 -832.333396 5.4751 BFGS: 982 16:19:56 -832.333826 5.5103 BFGS: 983 16:19:56 -832.334950 5.5669 BFGS: 984 16:19:56 -832.337896 5.6571 BFGS: 985 16:19:57 -832.345624 5.7953 BFGS: 986 16:19:57 -832.364624 6.0163 BFGS: 987 16:19:57 -832.416903 6.3567 BFGS: 988 16:19:57 -832.548006 6.8318 BFGS: 989 16:19:57 -832.760928 7.1912 BFGS: 990 16:19:57 -833.037817 7.3982 BFGS: 991 16:19:57 -833.367094 7.4974 BFGS: 992 16:19:57 -833.733695 7.5221 BFGS: 993 16:19:57 -834.123914 7.4928 BFGS: 994 16:19:58 -834.529419 7.4409 BFGS: 995 16:19:58 -834.936405 7.8315 BFGS: 996 16:19:58 -835.351421 8.1582 BFGS: 997 16:19:58 -835.775406 8.4390 BFGS: 998 16:19:58 -836.202511 8.6666 BFGS: 999 16:19:58 -836.610752 8.8469 BFGS: 1000 16:19:58 -837.039428 8.9866 BFGS: 1001 16:19:58 -837.449673 9.0821 BFGS: 1002 16:19:58 -837.882257 9.1342 BFGS: 1003 16:19:59 -838.307960 9.1555 BFGS: 1004 16:19:59 -838.736727 9.1355 BFGS: 1005 16:19:59 -839.136010 9.0909 BFGS: 1006 16:19:59 -839.555415 9.0333 BFGS: 1007 16:19:59 -839.924254 8.9173 BFGS: 1008 16:19:59 -840.325751 8.8070 BFGS: 1009 16:19:59 -840.654535 8.6630 BFGS: 1010 16:19:59 -840.997658 8.5141 BFGS: 1011 16:19:59 -841.286848 8.3613 BFGS: 1012 16:19:59 -841.580452 8.1957 BFGS: 1013 16:19:59 -841.842878 8.0311 BFGS: 1014 16:19:59 -842.094423 7.8573 BFGS: 1015 16:20:00 -842.311819 7.7002 BFGS: 1016 16:20:00 -842.533794 7.5344 BFGS: 1017 16:20:00 -842.727070 7.5690 BFGS: 1018 16:20:00 -842.910665 7.7767 BFGS: 1019 16:20:00 -843.078314 7.9544 BFGS: 1020 16:20:00 -843.239102 8.1630 BFGS: 1021 16:20:00 -843.375009 8.3358 BFGS: 1022 16:20:00 -843.515232 8.5379 BFGS: 1023 16:20:00 -843.630547 8.7163 BFGS: 1024 16:20:00 -843.744065 8.9009 BFGS: 1025 16:20:00 -843.843485 9.0860 BFGS: 1026 16:20:00 -843.936400 9.2627 BFGS: 1027 16:20:01 -844.017161 9.4455 BFGS: 1028 16:20:01 -844.089759 9.6105 BFGS: 1029 16:20:01 -844.158857 9.7946 BFGS: 1030 16:20:01 -844.218462 9.9523 BFGS: 1031 16:20:01 -844.275205 10.1476 BFGS: 1032 16:20:01 -844.321343 10.2838 BFGS: 1033 16:20:01 -844.365238 10.4831 BFGS: 1034 16:20:01 -844.400813 10.6071 BFGS: 1035 16:20:01 -844.433778 10.8137 BFGS: 1036 16:20:01 -844.459405 10.9200 BFGS: 1037 16:20:01 -844.482553 11.1282 BFGS: 1038 16:20:01 -844.499808 11.2277 BFGS: 1039 16:20:01 -844.514517 11.4132 BFGS: 1040 16:20:02 -844.525092 11.5327 BFGS: 1041 16:20:02 -844.533445 11.6589 BFGS: 1042 16:20:02 -844.539381 11.8342 BFGS: 1043 16:20:02 -844.543806 11.8958 BFGS: 1044 16:20:02 -844.547312 12.0512 BFGS: 1045 16:20:02 -844.550326 12.1083 BFGS: 1046 16:20:02 -844.553545 12.1413 BFGS: 1047 16:20:02 -844.556345 12.2121 BFGS: 1048 16:20:02 -844.558057 12.0902 BFGS: 1049 16:20:02 -844.558981 12.0698 BFGS: 1050 16:20:03 -844.559507 12.0247 BFGS: 1051 16:20:03 -844.559835 12.0259 BFGS: 1052 16:20:03 -844.560131 12.0246 BFGS: 1053 16:20:03 -844.560304 12.0418 BFGS: 1054 16:20:03 -844.560393 12.0517 BFGS: 1055 16:20:03 -844.560434 12.0606 BFGS: 1056 16:20:03 -844.560452 12.0641 BFGS: 1057 16:20:03 -844.560461 12.0665 BFGS: 1058 16:20:03 -844.560465 12.0663 BFGS: 1059 16:20:03 -844.560466 12.0665 BFGS: 1060 16:20:03 -844.560467 12.0650 BFGS: 1061 16:20:04 -844.560468 12.0655 BFGS: 1062 16:20:04 -844.560468 12.0651 BFGS: 1063 16:20:04 -844.560468 12.0655 BFGS: 1064 16:20:04 -844.560468 12.0657 BFGS: 1065 16:20:04 -844.560468 12.0659 BFGS: 1066 16:20:04 -844.560468 12.0660 BFGS: 1067 16:20:04 -844.560468 12.0661 BFGS: 1068 16:20:04 -844.560468 12.0662 BFGS: 1069 16:20:04 -844.560468 12.0662 BFGS: 1070 16:20:04 -844.560468 12.0663 BFGS: 1071 16:20:05 -844.560469 12.0662 BFGS: 1072 16:20:05 -844.560471 12.0662 BFGS: 1073 16:20:05 -844.560476 12.0660 BFGS: 1074 16:20:05 -844.560490 12.0658 BFGS: 1075 16:20:05 -844.560525 12.0652 BFGS: 1076 16:20:05 -844.560618 12.0645 BFGS: 1077 16:20:05 -844.560862 12.0630 BFGS: 1078 16:20:05 -844.561501 12.0615 BFGS: 1079 16:20:05 -844.563178 12.0592 BFGS: 1080 16:20:05 -844.567583 12.0589 BFGS: 1081 16:20:05 -844.579182 12.0639 BFGS: 1082 16:20:06 -844.609878 12.0917 BFGS: 1083 16:20:06 -844.685297 12.1775 BFGS: 1084 16:20:06 -844.750767 12.2655 BFGS: 1085 16:20:06 -844.815262 12.3597 BFGS: 1086 16:20:06 -844.877573 12.4563 BFGS: 1087 16:20:06 -844.939450 12.5521 BFGS: 1088 16:20:06 -844.999501 12.6505 BFGS: 1089 16:20:06 -845.059632 12.7511 BFGS: 1090 16:20:06 -845.129465 12.8475 BFGS: 1091 16:20:06 -845.204552 12.9474 BFGS: 1092 16:20:06 -845.292136 13.0388 BFGS: 1093 16:20:06 -845.419070 13.1243 BFGS: 1094 16:20:06 -845.534518 13.2242 BFGS: 1095 16:20:06 -845.664531 13.2983 BFGS: 1096 16:20:06 -845.796897 13.3706 BFGS: 1097 16:20:06 -845.925158 13.4627 BFGS: 1098 16:20:06 -846.055398 13.5543 BFGS: 1099 16:20:06 -846.193835 13.6526 BFGS: 1100 16:20:06 -846.337749 13.7490 BFGS: 1101 16:20:07 -846.488577 13.8516 BFGS: 1102 16:20:07 -846.644668 13.9517 BFGS: 1103 16:20:07 -846.811288 14.0626 BFGS: 1104 16:20:07 -846.980938 14.1641 BFGS: 1105 16:20:07 -847.164554 14.2752 BFGS: 1106 16:20:07 -847.343847 14.3749 BFGS: 1107 16:20:07 -847.489071 14.4050 BFGS: 1108 16:20:07 -847.702772 14.4978 BFGS: 1109 16:20:07 -847.920535 14.5994 BFGS: 1110 16:20:07 -848.148080 14.7191 BFGS: 1111 16:20:07 -848.381765 14.8250 BFGS: 1112 16:20:07 -848.622530 14.9487 BFGS: 1113 16:20:07 -848.870525 15.0626 BFGS: 1114 16:20:07 -849.127964 15.1903 BFGS: 1115 16:20:07 -849.392273 15.3046 BFGS: 1116 16:20:07 -849.665476 15.4378 BFGS: 1117 16:20:07 -849.946713 15.5595 BFGS: 1118 16:20:07 -850.238694 15.7018 BFGS: 1119 16:20:08 -850.542255 15.8220 BFGS: 1120 16:20:08 -850.854587 15.9754 BFGS: 1121 16:20:08 -851.174649 16.0849 BFGS: 1122 16:20:08 -851.506606 16.2737 BFGS: 1123 16:20:08 -851.786237 16.6611 BFGS: 1124 16:20:08 -852.150235 16.8828 BFGS: 1125 16:20:08 -852.510722 17.4431 BFGS: 1126 16:20:08 -852.833727 18.5570 BFGS: 1127 16:20:08 -853.236914 18.8189 BFGS: 1128 16:20:08 -853.638560 19.1913 BFGS: 1129 16:20:08 -854.055237 19.5210 BFGS: 1130 16:20:08 -854.478328 19.8468 BFGS: 1131 16:20:08 -854.911652 20.1916 BFGS: 1132 16:20:08 -855.355643 20.5075 BFGS: 1133 16:20:08 -855.806914 20.8607 BFGS: 1134 16:20:08 -856.267461 21.1027 BFGS: 1135 16:20:08 -856.657580 21.1075 BFGS: 1136 16:20:08 -857.167178 21.5331 BFGS: 1137 16:20:09 -857.677073 21.9681 BFGS: 1138 16:20:09 -858.185279 22.3854 BFGS: 1139 16:20:09 -858.691010 22.7972 BFGS: 1140 16:20:09 -859.194900 23.2099 BFGS: 1141 16:20:09 -859.698265 23.6263 BFGS: 1142 16:20:09 -860.198725 24.0240 BFGS: 1143 16:20:09 -860.702670 24.4832 BFGS: 1144 16:20:09 -861.196702 24.8548 BFGS: 1145 16:20:09 -861.694370 25.3324 BFGS: 1146 16:20:09 -862.178027 25.6982 BFGS: 1147 16:20:09 -862.663549 26.2054 BFGS: 1148 16:20:09 -863.134664 26.5831 BFGS: 1149 16:20:10 -863.607482 27.1349 BFGS: 1150 16:20:10 -864.061570 27.5369 BFGS: 1151 16:20:10 -864.514517 28.1549 BFGS: 1152 16:20:10 -864.943701 28.5793 BFGS: 1153 16:20:10 -865.377913 29.3161 BFGS: 1154 16:20:10 -865.790986 29.7855 BFGS: 1155 16:20:10 -866.222637 30.6644 BFGS: 1156 16:20:10 -866.650117 31.2773 BFGS: 1157 16:20:10 -867.108278 32.7395 BFGS: 1158 16:20:10 -867.576778 33.7044 BFGS: 1159 16:20:10 -868.072100 34.8496 BFGS: 1160 16:20:10 -868.591328 35.3787 BFGS: 1161 16:20:11 -869.117636 36.1755 BFGS: 1162 16:20:11 -869.648879 36.5781 BFGS: 1163 16:20:11 -870.187709 37.2330 BFGS: 1164 16:20:11 -870.715610 37.9982 BFGS: 1165 16:20:11 -871.249093 38.5354 BFGS: 1166 16:20:11 -871.779315 39.1219 BFGS: 1167 16:20:11 -872.300064 39.5465 BFGS: 1168 16:20:11 -872.818343 39.9658 BFGS: 1169 16:20:11 -873.329243 40.2959 BFGS: 1170 16:20:11 -873.837624 40.6066 BFGS: 1171 16:20:11 -874.352793 41.2468 BFGS: 1172 16:20:11 -874.916549 40.8940 BFGS: 1173 16:20:11 -875.485472 40.9164 BFGS: 1174 16:20:12 -876.016423 41.0913 BFGS: 1175 16:20:12 -876.454549 41.1954 BFGS: 1176 16:20:12 -876.816853 41.2804 BFGS: 1177 16:20:12 -877.146667 41.2329 BFGS: 1178 16:20:12 -877.454792 41.2421 BFGS: 1179 16:20:12 -877.755278 41.1419 BFGS: 1180 16:20:12 -878.037111 41.1512 BFGS: 1181 16:20:12 -878.319890 41.0283 BFGS: 1182 16:20:12 -878.581304 41.0224 BFGS: 1183 16:20:12 -878.846100 40.9174 BFGS: 1184 16:20:13 -879.092447 40.8650 BFGS: 1185 16:20:13 -879.340905 40.7916 BFGS: 1186 16:20:13 -879.575199 40.6962 BFGS: 1187 16:20:13 -879.810581 40.6455 BFGS: 1188 16:20:13 -880.032407 40.5323 BFGS: 1189 16:20:13 -880.254353 40.4946 BFGS: 1190 16:20:13 -880.467490 40.3410 BFGS: 1191 16:20:13 -880.680264 40.3098 BFGS: 1192 16:20:13 -880.883717 40.1496 BFGS: 1193 16:20:13 -881.088240 40.0983 BFGS: 1194 16:20:13 -881.282266 39.9535 BFGS: 1195 16:20:13 -881.479963 39.8686 BFGS: 1196 16:20:13 -881.662761 39.7454 BFGS: 1197 16:20:14 -881.854733 39.6154 BFGS: 1198 16:20:14 -882.030340 39.5314 BFGS: 1199 16:20:14 -882.213081 39.3717 BFGS: 1200 16:20:14 -882.384866 39.2888 BFGS: 1201 16:20:14 -882.557982 39.1368 BFGS: 1202 16:20:14 -882.726036 39.0344 BFGS: 1203 16:20:14 -882.894725 38.8841 BFGS: 1204 16:20:14 -883.051609 38.8066 BFGS: 1205 16:20:14 -883.212720 38.6474 BFGS: 1206 16:20:14 -883.370511 38.5368 BFGS: 1207 16:20:14 -883.528588 38.3868 BFGS: 1208 16:20:14 -883.684610 38.2482 BFGS: 1209 16:20:15 -883.837154 38.1212 BFGS: 1210 16:20:15 -884.020858 37.8342 BFGS: 1211 16:20:15 -884.210373 37.5882 BFGS: 1212 16:20:15 -884.426246 37.3030 BFGS: 1213 16:20:15 -884.683274 36.9868 BFGS: 1214 16:20:15 -884.997848 36.5810 BFGS: 1215 16:20:15 -885.379789 36.1182 BFGS: 1216 16:20:15 -885.838789 35.5594 BFGS: 1217 16:20:15 -886.380464 34.9280 BFGS: 1218 16:20:16 -887.006709 34.2082 BFGS: 1219 16:20:16 -887.719953 33.4087 BFGS: 1220 16:20:16 -888.513138 32.5491 BFGS: 1221 16:20:16 -889.382353 31.6252 BFGS: 1222 16:20:16 -890.295799 30.6826 BFGS: 1223 16:20:16 -891.209899 29.7786 BFGS: 1224 16:20:16 -892.101162 28.9192 BFGS: 1225 16:20:16 -892.931996 28.1737 BFGS: 1226 16:20:16 -893.713789 27.4743 BFGS: 1227 16:20:16 -894.431815 26.8670 BFGS: 1228 16:20:16 -895.108152 26.2681 BFGS: 1229 16:20:16 -895.717970 25.7804 BFGS: 1230 16:20:17 -896.302542 25.2370 BFGS: 1231 16:20:17 -896.813779 24.8573 BFGS: 1232 16:20:17 -897.320154 24.3385 BFGS: 1233 16:20:17 -897.751484 24.0167 BFGS: 1234 16:20:17 -898.180933 23.5586 BFGS: 1235 16:20:17 -898.549379 23.2449 BFGS: 1236 16:20:17 -898.910952 22.8401 BFGS: 1237 16:20:17 -899.223290 22.5178 BFGS: 1238 16:20:17 -899.526322 22.1519 BFGS: 1239 16:20:17 -899.784144 21.7915 BFGS: 1240 16:20:17 -900.030187 21.4451 BFGS: 1241 16:20:17 -900.238441 21.0506 BFGS: 1242 16:20:18 -900.429841 20.7010 BFGS: 1243 16:20:18 -900.590385 20.2626 BFGS: 1244 16:20:18 -900.731114 19.8843 BFGS: 1245 16:20:18 -900.848820 19.3684 BFGS: 1246 16:20:18 -900.947582 18.9200 BFGS: 1247 16:20:18 -901.034501 18.2229 BFGS: 1248 16:20:18 -901.107169 17.6634 BFGS: 1249 16:20:18 -901.187580 16.3152 BFGS: 1250 16:20:18 -901.252629 15.8807 BFGS: 1251 16:20:18 -901.326849 15.0810 BFGS: 1252 16:20:18 -901.353523 15.2409 BFGS: 1253 16:20:18 -901.361616 15.2057 BFGS: 1254 16:20:19 -901.370651 15.2661 BFGS: 1255 16:20:19 -901.386286 15.1715 BFGS: 1256 16:20:19 -901.408480 14.8519 BFGS: 1257 16:20:19 -901.431743 14.5653 BFGS: 1258 16:20:19 -901.455062 14.1611 BFGS: 1259 16:20:19 -901.477205 14.0026 BFGS: 1260 16:20:19 -901.497622 13.7591 BFGS: 1261 16:20:19 -901.516372 13.7456 BFGS: 1262 16:20:19 -901.533501 13.6458 BFGS: 1263 16:20:19 -901.548318 13.7540 BFGS: 1264 16:20:19 -901.560136 13.7440 BFGS: 1265 16:20:19 -901.565280 14.0074 BFGS: 1266 16:20:20 -901.567631 13.9182 BFGS: 1267 16:20:20 -901.569125 14.0622 BFGS: 1268 16:20:20 -901.569792 13.9741 BFGS: 1269 16:20:20 -901.570211 13.9561 BFGS: 1270 16:20:20 -901.570385 13.9279 BFGS: 1271 16:20:20 -901.570612 13.9072 BFGS: 1272 16:20:20 -901.570690 13.9120 BFGS: 1273 16:20:20 -901.570772 13.9338 BFGS: 1274 16:20:20 -901.570805 13.9468 BFGS: 1275 16:20:20 -901.570831 13.9583 BFGS: 1276 16:20:20 -901.570841 13.9600 BFGS: 1277 16:20:20 -901.570848 13.9586 BFGS: 1278 16:20:20 -901.570850 13.9572 BFGS: 1279 16:20:21 -901.570852 13.9536 BFGS: 1280 16:20:21 -901.570853 13.9530 BFGS: 1281 16:20:21 -901.570854 13.9521 BFGS: 1282 16:20:21 -901.570856 13.9515 BFGS: 1283 16:20:21 -901.570862 13.9505 BFGS: 1284 16:20:21 -901.570875 13.9491 BFGS: 1285 16:20:21 -901.570910 13.9467 BFGS: 1286 16:20:21 -901.571000 13.9428 BFGS: 1287 16:20:21 -901.571234 13.9363 BFGS: 1288 16:20:21 -901.571843 13.9252 BFGS: 1289 16:20:21 -901.573436 13.9061 BFGS: 1290 16:20:21 -901.577597 13.8723 BFGS: 1291 16:20:22 -901.588488 13.8110 BFGS: 1292 16:20:22 -901.616973 13.6966 BFGS: 1293 16:20:22 -901.691406 13.4733 BFGS: 1294 16:20:22 -901.884681 13.0344 BFGS: 1295 16:20:22 -902.378346 12.1485 BFGS: 1296 16:20:22 -903.087629 11.3283 BFGS: 1297 16:20:22 -903.835148 10.7774 BFGS: 1298 16:20:22 -904.552990 10.4036 BFGS: 1299 16:20:22 -905.215565 10.1619 BFGS: 1300 16:20:22 -905.887193 9.8932 BFGS: 1301 16:20:22 -906.746773 9.2636 BFGS: 1302 16:20:23 -907.562843 8.4965 BFGS: 1303 16:20:23 -908.272241 7.9485 BFGS: 1304 16:20:23 -908.856207 7.5498 BFGS: 1305 16:20:23 -909.415285 7.5990 BFGS: 1306 16:20:23 -909.999257 8.0595 BFGS: 1307 16:20:23 -910.750784 8.2290 BFGS: 1308 16:20:23 -911.987981 6.9665 BFGS: 1309 16:20:23 -913.146951 6.1535 BFGS: 1310 16:20:23 -914.354081 4.1256 BFGS: 1311 16:20:23 -915.489825 3.3251 BFGS: 1312 16:20:23 -916.371072 4.4075 BFGS: 1313 16:20:24 -916.748358 4.5735 BFGS: 1314 16:20:24 -917.007861 4.2756 BFGS: 1315 16:20:24 -917.207652 4.0630 BFGS: 1316 16:20:24 -917.376934 4.1040 BFGS: 1317 16:20:24 -917.531487 4.1420 BFGS: 1318 16:20:24 -917.668258 4.1513 BFGS: 1319 16:20:24 -917.798731 4.1552 BFGS: 1320 16:20:24 -917.919235 4.1376 BFGS: 1321 16:20:24 -918.034492 4.1255 BFGS: 1322 16:20:24 -918.143331 4.0993 BFGS: 1323 16:20:24 -918.250859 4.0723 BFGS: 1324 16:20:24 -918.356766 4.0402 BFGS: 1325 16:20:24 -918.461120 4.0120 BFGS: 1326 16:20:25 -918.567172 3.9718 BFGS: 1327 16:20:25 -918.674360 3.9360 BFGS: 1328 16:20:25 -918.783079 3.8933 BFGS: 1329 16:20:25 -918.893711 3.8536 BFGS: 1330 16:20:25 -919.006717 3.8069 BFGS: 1331 16:20:25 -919.122647 3.7626 BFGS: 1332 16:20:25 -919.241855 3.7104 BFGS: 1333 16:20:25 -919.363567 3.6613 BFGS: 1334 16:20:25 -919.489552 3.5984 BFGS: 1335 16:20:25 -919.621928 3.5416 BFGS: 1336 16:20:25 -919.759099 3.4530 BFGS: 1337 16:20:26 -919.903913 3.3923 BFGS: 1338 16:20:26 -920.052079 3.6776 BFGS: 1339 16:20:26 -920.210123 4.1136 BFGS: 1340 16:20:26 -920.375313 4.4468 BFGS: 1341 16:20:26 -920.554049 4.8627 BFGS: 1342 16:20:26 -920.744678 5.2221 BFGS: 1343 16:20:26 -920.949059 5.6451 BFGS: 1344 16:20:26 -921.160704 6.0240 BFGS: 1345 16:20:26 -921.360656 6.4234 BFGS: 1346 16:20:26 -921.548266 6.7483 BFGS: 1347 16:20:26 -921.729147 7.1543 BFGS: 1348 16:20:27 -921.901629 7.4754 BFGS: 1349 16:20:27 -922.070488 7.9489 BFGS: 1350 16:20:27 -922.231492 8.2980 BFGS: 1351 16:20:27 -922.391587 8.8615 BFGS: 1352 16:20:27 -922.544997 9.2987 BFGS: 1353 16:20:27 -922.699974 9.9026 BFGS: 1354 16:20:27 -922.853330 10.4935 BFGS: 1355 16:20:27 -923.010983 11.1813 BFGS: 1356 16:20:27 -923.172023 11.9051 BFGS: 1357 16:20:27 -923.326560 12.6281 BFGS: 1358 16:20:27 -923.465766 13.2721 BFGS: 1359 16:20:27 -923.599849 13.8875 BFGS: 1360 16:20:28 -923.727280 14.4667 BFGS: 1361 16:20:28 -923.851786 15.0151 BFGS: 1362 16:20:28 -923.972965 15.5466 BFGS: 1363 16:20:28 -924.093101 16.0409 BFGS: 1364 16:20:28 -924.211556 16.5321 BFGS: 1365 16:20:28 -924.326671 16.9763 BFGS: 1366 16:20:28 -924.444269 17.4232 BFGS: 1367 16:20:28 -924.563784 17.8524 BFGS: 1368 16:20:28 -924.684998 18.2708 BFGS: 1369 16:20:28 -924.809373 18.6750 BFGS: 1370 16:20:28 -924.935796 19.0682 BFGS: 1371 16:20:28 -925.066793 19.4508 BFGS: 1372 16:20:29 -925.199955 19.8218 BFGS: 1373 16:20:29 -925.339695 20.1836 BFGS: 1374 16:20:29 -925.481605 20.5390 BFGS: 1375 16:20:29 -925.632601 20.8817 BFGS: 1376 16:20:29 -925.782473 21.2243 BFGS: 1377 16:20:29 -925.947932 21.5386 BFGS: 1378 16:20:29 -926.100605 21.8695 BFGS: 1379 16:20:29 -926.282371 22.1600 BFGS: 1380 16:20:29 -926.446434 22.4721 BFGS: 1381 16:20:29 -926.633986 22.7566 BFGS: 1382 16:20:29 -926.815714 23.0356 BFGS: 1383 16:20:29 -927.012878 23.2973 BFGS: 1384 16:20:30 -927.211916 23.5539 BFGS: 1385 16:20:30 -927.419619 23.7875 BFGS: 1386 16:20:30 -927.629597 24.0149 BFGS: 1387 16:20:30 -927.850607 24.2139 BFGS: 1388 16:20:30 -928.067549 24.4112 BFGS: 1389 16:20:30 -928.298453 24.5696 BFGS: 1390 16:20:30 -928.516108 24.7386 BFGS: 1391 16:20:30 -928.772355 24.8393 BFGS: 1392 16:20:30 -928.971613 24.9763 BFGS: 1393 16:20:30 -929.231755 24.9842 BFGS: 1394 16:20:30 -929.444262 25.0209 BFGS: 1395 16:20:30 -929.702847 24.9426 BFGS: 1396 16:20:31 -929.941519 24.7947 BFGS: 1397 16:20:31 -930.238636 24.4114 BFGS: 1398 16:20:31 -930.467530 23.8700 BFGS: 1399 16:20:31 -930.713720 23.1938 BFGS: 1400 16:20:31 -930.944683 22.2935 BFGS: 1401 16:20:31 -931.106971 20.7029 BFGS: 1402 16:20:31 -931.360918 19.3661 BFGS: 1403 16:20:31 -931.605892 18.1030 BFGS: 1404 16:20:31 -931.767997 17.4710 BFGS: 1405 16:20:31 -931.895911 17.1068 BFGS: 1406 16:20:31 -932.008550 16.9395 BFGS: 1407 16:20:31 -932.119523 16.7429 BFGS: 1408 16:20:32 -932.217436 16.7461 BFGS: 1409 16:20:32 -932.322291 16.5695 BFGS: 1410 16:20:32 -932.413561 16.6348 BFGS: 1411 16:20:32 -932.508610 16.5741 BFGS: 1412 16:20:32 -932.599033 16.6032 BFGS: 1413 16:20:32 -932.687726 16.6149 BFGS: 1414 16:20:32 -932.775207 16.6475 BFGS: 1415 16:20:32 -932.859506 16.6850 BFGS: 1416 16:20:32 -932.942634 16.7232 BFGS: 1417 16:20:32 -933.022815 16.7763 BFGS: 1418 16:20:32 -933.101194 16.8340 BFGS: 1419 16:20:33 -933.176929 16.8915 BFGS: 1420 16:20:33 -933.250229 16.9639 BFGS: 1421 16:20:33 -933.321301 17.0238 BFGS: 1422 16:20:33 -933.389199 17.2156 BFGS: 1423 16:20:33 -933.454884 17.4540 BFGS: 1424 16:20:33 -933.517165 17.7171 BFGS: 1425 16:20:33 -933.577025 17.9613 BFGS: 1426 16:20:33 -933.633564 18.2387 BFGS: 1427 16:20:33 -933.687702 18.4965 BFGS: 1428 16:20:33 -933.738403 18.7794 BFGS: 1429 16:20:33 -933.786617 19.0456 BFGS: 1430 16:20:33 -933.831475 19.3305 BFGS: 1431 16:20:33 -933.873791 19.6003 BFGS: 1432 16:20:34 -933.912882 19.8833 BFGS: 1433 16:20:34 -933.949468 20.1499 BFGS: 1434 16:20:34 -933.983042 20.4236 BFGS: 1435 16:20:34 -934.014351 20.6745 BFGS: 1436 16:20:34 -934.043138 20.9230 BFGS: 1437 16:20:34 -934.070493 21.1305 BFGS: 1438 16:20:34 -934.096885 21.3102 BFGS: 1439 16:20:34 -934.125063 21.3906 BFGS: 1440 16:20:34 -934.158757 21.3311 BFGS: 1441 16:20:34 -934.211038 20.8474 BFGS: 1442 16:20:34 -934.284536 19.6343 BFGS: 1443 16:20:34 -934.352869 18.2631 BFGS: 1444 16:20:35 -934.420745 16.7483 BFGS: 1445 16:20:35 -934.481507 15.3030 BFGS: 1446 16:20:35 -934.525901 14.0367 BFGS: 1447 16:20:35 -934.556630 13.0487 BFGS: 1448 16:20:35 -934.576623 12.1891 BFGS: 1449 16:20:35 -934.586944 11.6076 BFGS: 1450 16:20:35 -934.590460 11.3478 BFGS: 1451 16:20:35 -934.591968 11.3785 BFGS: 1452 16:20:35 -934.592470 11.3504 BFGS: 1453 16:20:35 -934.592809 11.4546 BFGS: 1454 16:20:35 -934.593027 11.5814 BFGS: 1455 16:20:35 -934.593123 11.6135 BFGS: 1456 16:20:35 -934.593175 11.6625 BFGS: 1457 16:20:36 -934.593183 11.6411 BFGS: 1458 16:20:36 -934.593193 11.6157 BFGS: 1459 16:20:36 -934.593195 11.6112 BFGS: 1460 16:20:36 -934.593197 11.6116 BFGS: 1461 16:20:36 -934.593198 11.6143 BFGS: 1462 16:20:36 -934.593198 11.6184 BFGS: 1463 16:20:36 -934.593198 11.6193 BFGS: 1464 16:20:36 -934.593198 11.6213 BFGS: 1465 16:20:36 -934.593198 11.6220 BFGS: 1466 16:20:36 -934.593199 11.6236 BFGS: 1467 16:20:36 -934.593200 11.6254 BFGS: 1468 16:20:36 -934.593203 11.6289 BFGS: 1469 16:20:37 -934.593211 11.6342 BFGS: 1470 16:20:37 -934.593231 11.6435 BFGS: 1471 16:20:37 -934.593281 11.6586 BFGS: 1472 16:20:37 -934.593412 11.6844 BFGS: 1473 16:20:37 -934.593742 11.7274 BFGS: 1474 16:20:37 -934.594587 11.8011 BFGS: 1475 16:20:37 -934.596730 11.9286 BFGS: 1476 16:20:37 -934.602210 12.1579 BFGS: 1477 16:20:37 -934.616365 12.6094 BFGS: 1478 16:20:37 -934.652919 13.4887 BFGS: 1479 16:20:37 -934.731920 14.9570 BFGS: 1480 16:20:37 -934.823933 16.3618 BFGS: 1481 16:20:37 -934.925459 17.7715 BFGS: 1482 16:20:38 -935.034283 19.1657 BFGS: 1483 16:20:38 -935.147321 20.5426 BFGS: 1484 16:20:38 -935.265621 21.8988 BFGS: 1485 16:20:38 -935.392813 23.2248 BFGS: 1486 16:20:38 -935.531297 24.4976 BFGS: 1487 16:20:38 -935.668498 25.5540 BFGS: 1488 16:20:38 -935.808700 26.4172 BFGS: 1489 16:20:38 -935.957223 27.1342 BFGS: 1490 16:20:38 -936.114974 27.7215 BFGS: 1491 16:20:38 -936.278196 28.1922 BFGS: 1492 16:20:38 -936.461747 28.5865 BFGS: 1493 16:20:38 -936.656432 28.8969 BFGS: 1494 16:20:39 -936.868990 29.1453 BFGS: 1495 16:20:39 -937.099238 29.3127 BFGS: 1496 16:20:39 -937.343335 29.4344 BFGS: 1497 16:20:39 -937.603310 29.4793 BFGS: 1498 16:20:39 -937.882596 29.4975 BFGS: 1499 16:20:39 -938.179464 29.4201 BFGS: 1500 16:20:39 -938.492327 29.3566 BFGS: 1501 16:20:39 -938.817606 29.1357 BFGS: 1502 16:20:39 -939.159705 29.0423 BFGS: 1503 16:20:39 -939.518175 28.6779 BFGS: 1504 16:20:39 -939.884576 28.4592 BFGS: 1505 16:20:39 -940.266769 28.0777 BFGS: 1506 16:20:39 -940.664939 27.7056 BFGS: 1507 16:20:40 -941.080250 27.2512 BFGS: 1508 16:20:40 -941.511740 26.7683 BFGS: 1509 16:20:40 -941.959370 26.2237 BFGS: 1510 16:20:40 -942.423599 25.6409 BFGS: 1511 16:20:40 -942.903763 25.0021 BFGS: 1512 16:20:40 -943.401741 24.3212 BFGS: 1513 16:20:40 -943.907266 23.5986 BFGS: 1514 16:20:40 -944.442571 22.8159 BFGS: 1515 16:20:40 -944.993165 21.9792 BFGS: 1516 16:20:40 -945.571808 21.0834 BFGS: 1517 16:20:40 -946.161981 20.1374 BFGS: 1518 16:20:40 -946.792349 19.1006 BFGS: 1519 16:20:41 -947.420433 18.0483 BFGS: 1520 16:20:41 -948.103299 16.8484 BFGS: 1521 16:20:41 -948.786008 15.6631 BFGS: 1522 16:20:41 -949.529254 15.5565 BFGS: 1523 16:20:41 -950.287847 15.4141 BFGS: 1524 16:20:41 -951.111586 15.1534 BFGS: 1525 16:20:41 -951.949361 14.8112 BFGS: 1526 16:20:41 -952.854506 14.2880 BFGS: 1527 16:20:41 -953.733370 13.6335 BFGS: 1528 16:20:41 -954.663888 12.6473 BFGS: 1529 16:20:41 -955.452623 11.5546 BFGS: 1530 16:20:41 -956.276656 9.7857 BFGS: 1531 16:20:42 -956.748592 8.3903 BFGS: 1532 16:20:42 -957.219060 5.8609 BFGS: 1533 16:20:42 -957.413414 4.2355 BFGS: 1534 16:20:42 -957.541050 2.8240 BFGS: 1535 16:20:42 -957.602042 3.2179 BFGS: 1536 16:20:42 -957.668311 2.2421 BFGS: 1537 16:20:42 -957.697367 2.1274 BFGS: 1538 16:20:42 -957.713360 1.8647 BFGS: 1539 16:20:42 -957.718761 1.6312 BFGS: 1540 16:20:42 -957.720067 1.5818 BFGS: 1541 16:20:42 -957.726110 1.4285 BFGS: 1542 16:20:42 -957.733120 1.3664 BFGS: 1543 16:20:43 -957.753377 1.3624 BFGS: 1544 16:20:43 -957.789856 1.3939 BFGS: 1545 16:20:43 -957.850592 1.2277 BFGS: 1546 16:20:43 -957.907309 0.7245 BFGS: 1547 16:20:43 -957.932432 0.2796 BFGS: 1548 16:20:43 -957.936535 0.2036 BFGS: 1549 16:20:43 -957.936868 0.1917 BFGS: 1550 16:20:43 -957.936903 0.1914 BFGS: 1551 16:20:43 -957.936924 0.1924 BFGS: 1552 16:20:43 -957.936934 0.1920 BFGS: 1553 16:20:43 -957.936939 0.1926 BFGS: 1554 16:20:43 -957.936941 0.1929 BFGS: 1555 16:20:43 -957.936945 0.1938 BFGS: 1556 16:20:44 -957.936947 0.1942 BFGS: 1557 16:20:44 -957.936961 0.1955 BFGS: 1558 16:20:44 -957.936991 0.2326 BFGS: 1559 16:20:44 -957.937074 0.3150 BFGS: 1560 16:20:44 -957.937282 0.4424 BFGS: 1561 16:20:44 -957.937819 0.6412 BFGS: 1562 16:20:44 -957.939117 0.9295 BFGS: 1563 16:20:44 -957.941617 1.1872 BFGS: 1564 16:20:44 -957.946215 1.2398 BFGS: 1565 16:20:44 -957.949999 0.7977 BFGS: 1566 16:20:44 -957.951450 0.2360 BFGS: 1567 16:20:44 -957.951625 0.0230 BFGS: 1568 16:20:45 -957.951633 0.0016 BFGS: 1569 16:20:45 -957.951633 0.0007 BFGS: 1570 16:20:45 -957.951633 0.0007 BFGS: 1571 16:20:45 -957.951633 0.0002 BFGS: 1572 16:20:45 -957.951633 0.0000 BFGS: 1573 16:20:45 -957.951633 0.0000 BFGS: 1574 16:20:45 -957.951633 0.0000 BFGS: 1575 16:20:45 -957.951633 0.0000 BFGS: 1576 16:20:45 -957.951633 0.0000 BFGS: 1577 16:20:45 -957.951633 0.0000 BFGS: 1578 16:20:45 -957.951633 0.0000 Minimization converged after 1578 steps. Maximum force component: 6.655935464458876e-09 eV/Angstrom Maximum stress component: 1.4221236732109848e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V', 'V'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [4.82792113e-01 2.06413221e-30 9.54058550e-01] [5.17207887e-01 0.00000000e+00 4.59414497e-02] [9.82792113e-01 5.00000000e-01 9.54058550e-01] [1.72078874e-02 5.00000000e-01 4.59414497e-02] [3.42674809e-01 0.00000000e+00 3.01216028e-03] [6.57325191e-01 1.02158972e-29 9.96987840e-01] [8.42674809e-01 5.00000000e-01 3.01216028e-03] [1.57325191e-01 5.00000000e-01 9.96987840e-01] [1.74400552e-01 1.09294243e-31 3.13474982e-02] [8.25599448e-01 0.00000000e+00 9.68652502e-01] [6.74400552e-01 5.00000000e-01 3.13474982e-02] [3.25599448e-01 5.00000000e-01 9.68652502e-01] [3.46712107e-01 0.00000000e+00 5.24763862e-01] [6.53287893e-01 1.49500934e-31 4.75236138e-01] [8.46712107e-01 5.00000000e-01 5.24763862e-01] [1.53287893e-01 5.00000000e-01 4.75236138e-01] [6.21057200e-01 0.00000000e+00 3.82502656e-01] [3.78942800e-01 1.33644774e-31 6.17497344e-01] [1.21057200e-01 5.00000000e-01 3.82502656e-01] [8.78942800e-01 5.00000000e-01 6.17497344e-01] [7.96718908e-01 2.42372726e-31 5.43178171e-01] [2.03281092e-01 0.00000000e+00 4.56821829e-01] [2.96718908e-01 5.00000000e-01 5.43178171e-01] [7.03281092e-01 5.00000000e-01 4.56821829e-01] [1.51683682e-01 0.00000000e+00 8.79821438e-01] [8.48316318e-01 1.90840207e-31 1.20178562e-01] [6.51683682e-01 5.00000000e-01 8.79821438e-01] [3.48316318e-01 5.00000000e-01 1.20178562e-01] [1.59690539e-01 0.00000000e+00 2.66178970e-01] [8.40309461e-01 0.00000000e+00 7.33821030e-01] [6.59690539e-01 5.00000000e-01 2.66178970e-01] [3.40309461e-01 5.00000000e-01 7.33821030e-01] [9.10626334e-01 0.00000000e+00 4.10171543e-01] [8.93736664e-02 0.00000000e+00 5.89828457e-01] [4.10626334e-01 5.00000000e-01 4.10171543e-01] [5.89373666e-01 5.00000000e-01 5.89828457e-01]] cellpar = Cell([[7.0330293261147485, 1.2046344908032186e-16, -0.854587393439954], [-5.4872580681559647e-17, 2.720761626471299, 3.9332897961636267e-17], [0.1433146872397746, 6.645819027628059e-17, 14.15900240322594]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 2.31377396e-09 4.08555263e-26 -9.89711857e-12] [-2.31377396e-09 -4.08555263e-26 9.89711857e-12] [ 2.31377396e-09 4.08555263e-26 -9.89711857e-12] [-2.31377396e-09 -4.08555263e-26 9.89711857e-12] [-8.20916965e-10 -2.29173028e-26 -1.86190204e-09] [ 8.20916965e-10 2.29173028e-26 1.86190204e-09] [-8.20916965e-10 -2.29173028e-26 -1.86190204e-09] [ 8.20916965e-10 2.29173028e-26 1.86190204e-09] [-6.65593546e-09 -1.13474181e-25 9.26227637e-10] [ 6.65593546e-09 1.13474181e-25 -9.26227637e-10] [-6.65593546e-09 -1.13474181e-25 9.26227637e-10] [ 6.65593546e-09 1.13474181e-25 -9.26227637e-10] [ 3.04836226e-09 6.01420437e-26 1.38581045e-09] [-3.04836226e-09 -6.01420437e-26 -1.38581045e-09] [ 3.04836226e-09 6.01420437e-26 1.38581045e-09] [-3.04836226e-09 -6.01420437e-26 -1.38581045e-09] [ 5.28328649e-09 1.12822037e-25 4.30369020e-09] [-5.28328649e-09 -1.12822037e-25 -4.30369020e-09] [ 5.28328649e-09 1.12822037e-25 4.30369020e-09] [-5.28328649e-09 -1.12822037e-25 -4.30369020e-09] [ 3.98177493e-10 -4.73921126e-27 -2.60870294e-09] [-3.98177493e-10 4.73921126e-27 2.60870294e-09] [ 3.98177493e-10 -4.73921126e-27 -2.60870294e-09] [-3.98177493e-10 4.73921126e-27 2.60870294e-09] [-4.18121101e-09 -1.02700832e-25 -6.37688040e-09] [ 4.18121101e-09 1.02700832e-25 6.37688040e-09] [-4.18121101e-09 -1.02700832e-25 -6.37688040e-09] [ 4.18121101e-09 1.02700832e-25 6.37688040e-09] [-1.31855527e-10 -3.43520739e-27 -2.44622654e-10] [ 1.31855527e-10 3.43520739e-27 2.44622654e-10] [-1.31855527e-10 -3.43520739e-27 -2.44622654e-10] [ 1.31855527e-10 3.43520739e-27 2.44622654e-10] [-2.45230954e-09 -5.40714428e-26 -2.37494457e-09] [ 2.45230954e-09 5.40714428e-26 2.37494457e-09] [-2.45230954e-09 -5.40714428e-26 -2.37494457e-09] [ 2.45230954e-09 5.40714428e-26 2.37494457e-09]] stress = [-2.45295934e-11 -4.02977099e-11 -6.63063364e-11 -6.80715620e-26 1.42212367e-10 1.32271123e-25] energy per atom = -25.20925349430114 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0