element(s): ['C', 'H', 'N', 'O'] AFLOW prototype label: AB5C3D4_mP52_14_e_5e_3e_4e Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['8.5691', '0.96921497', '0.9252897', '108.0985', '0.19951625', '0.58968308', '0.94441775', '0.41105682', '0.54513565', '0.15390134', '0.36324629', '0.74725162', '0.10149671', '0.12858936', '0.82228988', '0.87225137', '0.99905835', '0.66858668', '0.74961059', '0.23191663', '0.35455642', '0.98076304', '0.3091149', '0.081169146', '0.054888367', '0.33462458', '0.6280528', '0.074253985', '0.10211308', '0.70265317', '0.84780022', '0.34637758', '0.22762237', '0.097703356', '0.18491889', '0.047172296', '0.92462138', '0.3987115', '0.97114817', '0.14543551', '0.15414147', '0.43941357', '0.9033395'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'O', 'O', 'O', 'O'] representative atom coordinates = [[8.0048375e-01 5.8968308e-01 8.5606600e-01] [5.8894318e-01 5.4513565e-01 4.3504184e-01] [6.3675371e-01 7.4725162e-01 5.3525700e-01] [8.7141064e-01 8.2228988e-01 9.9915927e-01] [9.4165000e-04 6.6858668e-01 2.5133106e-01] [7.6808337e-01 3.5455642e-01 7.8732033e-01] [6.9088510e-01 8.1169146e-02 6.3599673e-01] [6.6537542e-01 6.2805280e-01 5.9112144e-01] [8.9788692e-01 7.0265317e-01 5.0086700e-02] [6.5362242e-01 2.2762237e-01 5.5591906e-01] [8.1508111e-01 4.7172296e-02 8.9045973e-01] [6.0128850e-01 9.7114817e-01 4.5585299e-01] [8.4585853e-01 4.3941357e-01 9.4251903e-01]] spacegroup = 14 cell = [[13.3608, 0, 0], [0, 8.3053, 0], [-6.2851250179612, 0, 4.8337003132795]] ========================================= Step Time Energy fmax BFGS: 0 11:30:22 -248.557342 110.4030 BFGS: 1 11:30:22 -296.119477 53.8925 BFGS: 2 11:30:22 -312.474115 38.1968 BFGS: 3 11:30:23 -314.804985 53.4427 BFGS: 4 11:30:23 -313.796498 47.3464 BFGS: 5 11:30:23 -321.820005 20.2176 BFGS: 6 11:30:24 -328.255741 14.1211 BFGS: 7 11:30:24 -331.017470 10.7938 BFGS: 8 11:30:25 -330.639394 33.3987 BFGS: 9 11:30:25 -333.843366 27.9210 BFGS: 10 11:30:25 -336.972115 23.1155 BFGS: 11 11:30:26 -340.156907 18.3554 BFGS: 12 11:30:26 -337.243835 59.5885 BFGS: 13 11:30:26 -330.679501 91.4257 BFGS: 14 11:30:26 -336.219031 31.3814 BFGS: 15 11:30:27 -343.952569 12.1333 BFGS: 16 11:30:27 -343.635615 13.5570 BFGS: 17 11:30:28 -346.186420 10.8553 BFGS: 18 11:30:29 -347.005081 11.7188 BFGS: 19 11:30:29 -347.929046 12.1851 BFGS: 20 11:30:30 -348.840617 12.3578 BFGS: 21 11:30:30 -349.725947 12.7423 BFGS: 22 11:30:30 -350.591608 12.5104 BFGS: 23 11:30:31 -351.418517 12.3947 BFGS: 24 11:30:32 -352.189472 12.3496 BFGS: 25 11:30:32 -352.919086 12.3586 BFGS: 26 11:30:33 -353.628888 12.3964 BFGS: 27 11:30:33 -354.334819 12.4497 BFGS: 28 11:30:33 -355.057562 12.5124 BFGS: 29 11:30:33 -355.820566 12.5661 BFGS: 30 11:30:34 -356.639712 12.6204 BFGS: 31 11:30:34 -357.533959 12.6758 BFGS: 32 11:30:35 -358.522979 12.7385 BFGS: 33 11:30:35 -359.625958 12.8003 BFGS: 34 11:30:36 -360.868180 12.8721 BFGS: 35 11:30:36 -362.282982 12.9638 BFGS: 36 11:30:36 -363.912790 13.5945 BFGS: 37 11:30:37 -365.814461 14.7237 BFGS: 38 11:30:37 -368.062964 15.9532 BFGS: 39 11:30:37 -370.756535 17.2008 BFGS: 40 11:30:38 -374.009416 18.2130 BFGS: 41 11:30:38 -377.895521 18.3363 BFGS: 42 11:30:39 -382.289106 16.2184 BFGS: 43 11:30:39 -386.550930 15.1451 BFGS: 44 11:30:40 -390.618894 20.9209 BFGS: 45 11:30:41 -394.944488 28.5129 BFGS: 46 11:30:41 -399.696437 35.7000 BFGS: 47 11:30:42 -404.560626 43.2827 BFGS: 48 11:30:42 -409.308795 51.1372 BFGS: 49 11:30:43 -413.695903 57.0387 BFGS: 50 11:30:44 -417.843521 60.2491 BFGS: 51 11:30:44 -421.829121 60.0741 BFGS: 52 11:30:45 -425.708700 56.7970 BFGS: 53 11:30:45 -429.386178 50.9020 BFGS: 54 11:30:46 -433.007544 44.7762 BFGS: 55 11:30:47 -436.512328 37.7998 BFGS: 56 11:30:47 -440.135219 31.4793 BFGS: 57 11:30:48 -443.764484 27.9306 BFGS: 58 11:30:48 -447.356547 32.9641 BFGS: 59 11:30:49 -450.692489 34.1577 BFGS: 60 11:30:49 -455.035283 38.8204 BFGS: 61 11:30:50 -463.794915 32.9039 BFGS: 62 11:30:51 -470.138544 17.4685 BFGS: 63 11:30:51 -480.126963 18.5991 BFGS: 64 11:30:52 -489.763910 20.2294 BFGS: 65 11:30:53 -499.055622 22.4308 BFGS: 66 11:30:54 -509.379167 24.2885 BFGS: 67 11:30:54 -519.134850 25.7453 BFGS: 68 11:30:54 -525.929004 26.2917 BFGS: 69 11:30:55 -530.992786 24.2220 BFGS: 70 11:30:56 -534.625824 23.8331 BFGS: 71 11:30:56 -537.604478 21.9879 BFGS: 72 11:30:57 -540.006465 22.0262 BFGS: 73 11:30:57 -542.295575 21.2556 BFGS: 74 11:30:58 -544.435801 20.4474 BFGS: 75 11:30:59 -546.530371 19.8539 BFGS: 76 11:30:59 -548.931881 19.2028 BFGS: 77 11:31:00 -551.336271 19.1352 BFGS: 78 11:31:01 -553.667368 19.0930 BFGS: 79 11:31:01 -555.669063 18.4287 BFGS: 80 11:31:02 -557.540997 17.9447 BFGS: 81 11:31:03 -559.371173 18.8889 BFGS: 82 11:31:03 -561.159387 19.6076 BFGS: 83 11:31:04 -562.968826 19.8284 BFGS: 84 11:31:05 -564.746663 20.2599 BFGS: 85 11:31:05 -566.564570 19.2004 BFGS: 86 11:31:06 -568.290147 19.1506 BFGS: 87 11:31:07 -569.891099 15.9048 BFGS: 88 11:31:07 -571.257822 15.7816 BFGS: 89 11:31:08 -572.415471 11.9008 BFGS: 90 11:31:09 -573.449010 10.4916 BFGS: 91 11:31:09 -574.366488 9.1108 BFGS: 92 11:31:10 -575.273104 8.6052 BFGS: 93 11:31:11 -576.162957 8.5832 BFGS: 94 11:31:11 -577.048874 8.5595 BFGS: 95 11:31:12 -577.933014 8.6576 BFGS: 96 11:31:13 -578.806979 9.5229 BFGS: 97 11:31:14 -579.674390 10.3337 BFGS: 98 11:31:14 -580.526600 11.1037 BFGS: 99 11:31:14 -581.365998 11.8205 BFGS: 100 11:31:15 -582.188476 12.4998 BFGS: 101 11:31:15 -582.995442 13.1409 BFGS: 102 11:31:15 -583.784669 13.7479 BFGS: 103 11:31:15 -584.558095 14.3184 BFGS: 104 11:31:16 -585.315374 14.8562 BFGS: 105 11:31:17 -586.059062 15.3603 BFGS: 106 11:31:17 -586.789299 15.8383 BFGS: 107 11:31:18 -587.507120 16.2790 BFGS: 108 11:31:18 -588.212998 16.6979 BFGS: 109 11:31:19 -588.908804 17.0868 BFGS: 110 11:31:20 -589.595572 17.4640 BFGS: 111 11:31:21 -590.274419 17.8020 BFGS: 112 11:31:21 -590.946908 18.1370 BFGS: 113 11:31:23 -591.611562 18.4348 BFGS: 114 11:31:23 -592.272380 18.7370 BFGS: 115 11:31:24 -592.926041 18.9994 BFGS: 116 11:31:24 -593.576330 19.2690 BFGS: 117 11:31:25 -594.221015 19.5101 BFGS: 118 11:31:25 -594.862464 19.7567 BFGS: 119 11:31:26 -595.499002 19.9875 BFGS: 120 11:31:26 -596.133113 20.2192 BFGS: 121 11:31:26 -596.763897 20.4464 BFGS: 122 11:31:27 -597.392120 20.6684 BFGS: 123 11:31:27 -598.017962 20.8796 BFGS: 124 11:31:28 -598.641403 21.0926 BFGS: 125 11:31:29 -599.262673 21.3055 BFGS: 126 11:31:29 -599.882115 21.5169 BFGS: 127 11:31:29 -600.499645 21.7294 BFGS: 128 11:31:30 -601.116767 21.9392 BFGS: 129 11:31:30 -601.732526 22.1428 BFGS: 130 11:31:31 -602.346931 22.3523 BFGS: 131 11:31:31 -602.959949 22.5598 BFGS: 132 11:31:32 -603.572172 22.7782 BFGS: 133 11:31:32 -604.183248 22.9955 BFGS: 134 11:31:33 -604.793321 23.2050 BFGS: 135 11:31:33 -605.403058 23.4204 BFGS: 136 11:31:34 -606.011997 23.6279 BFGS: 137 11:31:34 -606.620923 23.8443 BFGS: 138 11:31:35 -607.229338 24.0549 BFGS: 139 11:31:35 -607.838172 24.2707 BFGS: 140 11:31:36 -608.456146 24.4460 BFGS: 141 11:31:36 -609.068891 24.6814 BFGS: 142 11:31:36 -609.692939 24.7971 BFGS: 143 11:31:37 -610.329093 24.9620 BFGS: 144 11:31:37 -610.962988 25.1226 BFGS: 145 11:31:38 -611.595588 25.7558 BFGS: 146 11:31:38 -612.228418 26.5460 BFGS: 147 11:31:39 -612.859716 27.3224 BFGS: 148 11:31:40 -613.491290 28.0809 BFGS: 149 11:31:40 -614.120336 28.8138 BFGS: 150 11:31:42 -614.750280 29.5251 BFGS: 151 11:31:42 -615.378073 30.2002 BFGS: 152 11:31:43 -616.004815 30.8263 BFGS: 153 11:31:43 -616.628487 31.3963 BFGS: 154 11:31:44 -617.251667 31.8989 BFGS: 155 11:31:44 -617.870644 32.3205 BFGS: 156 11:31:45 -618.490628 32.6576 BFGS: 157 11:31:45 -619.107743 32.8953 BFGS: 158 11:31:45 -619.730064 33.0324 BFGS: 159 11:31:46 -620.356380 33.0542 BFGS: 160 11:31:46 -621.000328 32.9638 BFGS: 161 11:31:47 -621.668299 32.7532 BFGS: 162 11:31:47 -622.379302 32.4413 BFGS: 163 11:31:48 -623.139621 32.0272 BFGS: 164 11:31:48 -624.010464 31.4678 BFGS: 165 11:31:49 -624.913882 30.7042 BFGS: 166 11:31:50 -625.794428 29.8061 BFGS: 167 11:31:50 -626.722485 29.3350 BFGS: 168 11:31:50 -627.606955 29.1217 BFGS: 169 11:31:51 -628.551421 28.6677 BFGS: 170 11:31:51 -629.609526 28.3305 BFGS: 171 11:31:52 -630.689184 28.0577 BFGS: 172 11:31:52 -631.739516 27.7611 BFGS: 173 11:31:53 -632.784777 27.3267 BFGS: 174 11:31:53 -633.859667 26.8984 BFGS: 175 11:31:54 -634.975000 27.0385 BFGS: 176 11:31:54 -636.156583 27.5949 BFGS: 177 11:31:55 -637.412050 28.2654 BFGS: 178 11:31:56 -638.785471 29.2557 BFGS: 179 11:31:56 -640.207238 30.4084 BFGS: 180 11:31:57 -641.627275 34.8631 BFGS: 181 11:31:58 -642.999385 39.3553 BFGS: 182 11:31:58 -644.889511 45.2351 BFGS: 183 11:31:59 -646.063710 49.6614 BFGS: 184 11:32:00 -647.999567 55.2510 BFGS: 185 11:32:01 -649.513627 60.3939 BFGS: 186 11:32:01 -650.580114 62.4564 BFGS: 187 11:32:02 -651.945715 66.3533 BFGS: 188 11:32:03 -653.235076 67.0259 BFGS: 189 11:32:03 -654.787593 67.8866 BFGS: 190 11:32:04 -656.489441 66.3281 BFGS: 191 11:32:05 -658.042314 65.9316 BFGS: 192 11:32:05 -659.506421 63.9283 BFGS: 193 11:32:06 -660.859043 63.1064 BFGS: 194 11:32:06 -662.126565 61.6390 BFGS: 195 11:32:07 -663.367505 60.6864 BFGS: 196 11:32:08 -664.580477 59.5112 BFGS: 197 11:32:08 -665.769290 58.5612 BFGS: 198 11:32:09 -666.971527 57.5278 BFGS: 199 11:32:09 -668.123587 56.5905 BFGS: 200 11:32:10 -669.310690 55.6501 BFGS: 201 11:32:11 -670.465800 54.7238 BFGS: 202 11:32:12 -671.632235 53.8314 BFGS: 203 11:32:13 -672.790846 52.9340 BFGS: 204 11:32:14 -673.950815 52.0447 BFGS: 205 11:32:14 -675.109975 51.1434 BFGS: 206 11:32:15 -676.276996 50.2136 BFGS: 207 11:32:16 -677.436981 49.2613 BFGS: 208 11:32:16 -678.604997 48.3143 BFGS: 209 11:32:17 -679.768918 47.3214 BFGS: 210 11:32:17 -680.923155 46.2770 BFGS: 211 11:32:18 -682.073387 45.1726 BFGS: 212 11:32:18 -683.196597 43.9514 BFGS: 213 11:32:19 -684.311063 42.6498 BFGS: 214 11:32:20 -685.321325 41.3358 BFGS: 215 11:32:20 -686.337087 40.4162 BFGS: 216 11:32:21 -687.290716 39.8075 BFGS: 217 11:32:21 -688.252778 39.1539 BFGS: 218 11:32:22 -689.182000 38.5442 BFGS: 219 11:32:22 -690.112254 37.9342 BFGS: 220 11:32:23 -691.024836 37.3427 BFGS: 221 11:32:23 -691.938624 36.7721 BFGS: 222 11:32:24 -692.841247 36.2123 BFGS: 223 11:32:24 -693.743227 35.6789 BFGS: 224 11:32:24 -694.638623 35.1348 BFGS: 225 11:32:25 -695.535848 34.6438 BFGS: 226 11:32:26 -696.424746 34.1135 BFGS: 227 11:32:26 -697.316037 33.6650 BFGS: 228 11:32:27 -698.203611 33.1562 BFGS: 229 11:32:27 -699.085713 32.7408 BFGS: 230 11:32:28 -699.968219 32.2708 BFGS: 231 11:32:28 -700.853883 31.8579 BFGS: 232 11:32:29 -701.739460 31.4263 BFGS: 233 11:32:29 -702.626678 31.0298 BFGS: 234 11:32:30 -703.513335 30.6325 BFGS: 235 11:32:30 -704.388118 30.2858 BFGS: 236 11:32:31 -705.272768 29.9069 BFGS: 237 11:32:31 -706.159981 29.5617 BFGS: 238 11:32:31 -707.047989 29.2138 BFGS: 239 11:32:31 -707.942857 28.8841 BFGS: 240 11:32:32 -708.838325 28.5517 BFGS: 241 11:32:33 -709.740192 28.2319 BFGS: 242 11:32:33 -710.630996 27.9303 BFGS: 243 11:32:34 -711.533876 27.6261 BFGS: 244 11:32:34 -712.431771 27.3352 BFGS: 245 11:32:34 -713.335661 27.0486 BFGS: 246 11:32:35 -714.232938 26.7784 BFGS: 247 11:32:35 -715.133404 26.5076 BFGS: 248 11:32:36 -716.033002 26.2425 BFGS: 249 11:32:36 -716.933984 25.9849 BFGS: 250 11:32:36 -717.835832 25.7283 BFGS: 251 11:32:37 -718.737276 25.4795 BFGS: 252 11:32:37 -719.640844 25.2344 BFGS: 253 11:32:38 -720.540133 24.9924 BFGS: 254 11:32:38 -721.442235 24.7528 BFGS: 255 11:32:39 -722.341866 24.5194 BFGS: 256 11:32:39 -723.238763 24.2907 BFGS: 257 11:32:39 -724.137889 24.0612 BFGS: 258 11:32:40 -725.048134 23.8250 BFGS: 259 11:32:41 -725.936021 23.6150 BFGS: 260 11:32:41 -726.836862 23.3883 BFGS: 261 11:32:41 -727.693361 23.2255 BFGS: 262 11:32:41 -728.552852 23.0532 BFGS: 263 11:32:42 -729.349762 22.9187 BFGS: 264 11:32:42 -730.142690 22.7558 BFGS: 265 11:32:43 -730.884882 22.6011 BFGS: 266 11:32:43 -731.617043 22.4268 BFGS: 267 11:32:44 -732.350795 22.2364 BFGS: 268 11:32:45 -733.066481 22.0380 BFGS: 269 11:32:45 -733.772641 21.8535 BFGS: 270 11:32:46 -734.496491 21.6777 BFGS: 271 11:32:46 -735.213050 21.4758 BFGS: 272 11:32:46 -735.884446 21.2958 BFGS: 273 11:32:47 -736.520857 21.1503 BFGS: 274 11:32:47 -737.522714 21.0658 BFGS: 275 11:32:48 -738.419838 21.2306 BFGS: 276 11:32:48 -739.217873 21.3980 BFGS: 277 11:32:48 -739.967408 21.5683 BFGS: 278 11:32:49 -740.724610 21.7456 BFGS: 279 11:32:49 -741.462533 21.9290 BFGS: 280 11:32:50 -742.144614 22.1101 BFGS: 281 11:32:51 -743.205800 22.2943 BFGS: 282 11:32:51 -744.079683 22.5194 BFGS: 283 11:32:51 -744.934565 22.7415 BFGS: 284 11:32:52 -745.821786 22.9827 BFGS: 285 11:32:52 -746.782041 23.2365 BFGS: 286 11:32:52 -747.707572 23.5056 BFGS: 287 11:32:53 -748.687537 23.7801 BFGS: 288 11:32:53 -749.754053 24.1375 BFGS: 289 11:32:53 -750.822094 24.4867 BFGS: 290 11:32:53 -751.857029 24.8208 BFGS: 291 11:32:53 -752.940881 25.1568 BFGS: 292 11:32:54 -753.996731 25.5027 BFGS: 293 11:32:54 -755.191743 25.8896 BFGS: 294 11:32:54 -756.382821 26.2880 BFGS: 295 11:32:55 -757.568255 26.6837 BFGS: 296 11:32:55 -758.711979 27.0674 BFGS: 297 11:32:56 -759.879116 27.4765 BFGS: 298 11:32:56 -761.015237 27.8689 BFGS: 299 11:32:56 -762.154731 28.2753 BFGS: 300 11:32:57 -763.328951 28.6984 BFGS: 301 11:32:58 -764.400913 29.0908 BFGS: 302 11:32:59 -765.533656 29.5219 BFGS: 303 11:32:59 -766.619855 29.9436 BFGS: 304 11:32:59 -767.663344 30.3669 BFGS: 305 11:33:00 -768.831806 30.8097 BFGS: 306 11:33:00 -770.032442 31.2186 BFGS: 307 11:33:01 -770.914155 31.5767 BFGS: 308 11:33:01 -772.048648 32.0727 BFGS: 309 11:33:02 -773.213174 32.5786 BFGS: 310 11:33:02 -774.248842 32.9848 BFGS: 311 11:33:03 -775.322536 33.3763 BFGS: 312 11:33:04 -776.457118 33.7605 BFGS: 313 11:33:04 -777.655740 34.1393 BFGS: 314 11:33:04 -778.867245 34.4592 BFGS: 315 11:33:04 -780.032700 34.6911 BFGS: 316 11:33:04 -781.139369 34.8920 BFGS: 317 11:33:04 -782.211184 35.0843 BFGS: 318 11:33:04 -783.289414 35.2667 BFGS: 319 11:33:05 -784.429144 35.5733 BFGS: 320 11:33:06 -785.444306 35.7861 BFGS: 321 11:33:06 -786.504598 36.0467 BFGS: 322 11:33:06 -787.541217 36.2383 BFGS: 323 11:33:07 -788.579077 36.3869 BFGS: 324 11:33:08 -789.615672 36.4795 BFGS: 325 11:33:08 -790.659523 36.5265 BFGS: 326 11:33:08 -791.716786 36.5400 BFGS: 327 11:33:09 -792.793287 36.5271 BFGS: 328 11:33:09 -793.885428 36.4965 BFGS: 329 11:33:10 -794.996497 36.4559 BFGS: 330 11:33:10 -796.121156 36.4014 BFGS: 331 11:33:11 -797.253370 36.3408 BFGS: 332 11:33:11 -798.389769 36.2668 BFGS: 333 11:33:12 -799.526946 36.1793 BFGS: 334 11:33:12 -800.664883 36.0806 BFGS: 335 11:33:13 -801.794353 35.9602 BFGS: 336 11:33:13 -802.926691 35.8254 BFGS: 337 11:33:14 -804.054686 35.6682 BFGS: 338 11:33:14 -805.189513 35.4937 BFGS: 339 11:33:14 -806.322384 35.2994 BFGS: 340 11:33:15 -807.465966 35.0908 BFGS: 341 11:33:15 -808.610351 34.8551 BFGS: 342 11:33:15 -809.769901 34.6058 BFGS: 343 11:33:15 -810.923953 34.3244 BFGS: 344 11:33:16 -812.096280 34.0330 BFGS: 345 11:33:16 -813.252124 33.6969 BFGS: 346 11:33:16 -814.419743 33.6117 BFGS: 347 11:33:16 -815.560695 34.0849 BFGS: 348 11:33:17 -816.709171 34.5339 BFGS: 349 11:33:17 -817.837878 34.9636 BFGS: 350 11:33:18 -818.955206 35.3421 BFGS: 351 11:33:19 -820.190328 35.8933 BFGS: 352 11:33:19 -821.563086 36.5320 BFGS: 353 11:33:20 -822.630820 37.1083 BFGS: 354 11:33:20 -823.693481 37.6307 BFGS: 355 11:33:21 -824.660530 38.1363 BFGS: 356 11:33:22 -825.694436 38.6057 BFGS: 357 11:33:22 -826.646843 39.0620 BFGS: 358 11:33:23 -827.683109 39.4961 BFGS: 359 11:33:24 -828.658113 39.9287 BFGS: 360 11:33:24 -829.713620 40.3466 BFGS: 361 11:33:25 -830.722603 40.7611 BFGS: 362 11:33:25 -831.806109 41.1761 BFGS: 363 11:33:26 -832.873076 41.5873 BFGS: 364 11:33:27 -833.964148 41.9903 BFGS: 365 11:33:27 -835.121429 42.4061 BFGS: 366 11:33:28 -836.384678 42.8334 BFGS: 367 11:33:28 -837.909603 43.3095 BFGS: 368 11:33:29 -839.782874 43.8295 BFGS: 369 11:33:29 -842.012097 44.3425 BFGS: 370 11:33:30 -844.701410 44.7806 BFGS: 371 11:33:30 -848.054865 45.1489 BFGS: 372 11:33:31 -851.803993 45.3271 BFGS: 373 11:33:31 -855.516692 45.3572 BFGS: 374 11:33:32 -858.678638 45.2978 BFGS: 375 11:33:33 -861.583720 45.2081 BFGS: 376 11:33:33 -865.156343 45.1963 BFGS: 377 11:33:34 -868.399382 44.8887 BFGS: 378 11:33:35 -869.475502 44.9313 BFGS: 379 11:33:35 -871.222457 44.7027 BFGS: 380 11:33:36 -872.217389 44.6943 BFGS: 381 11:33:37 -873.272042 44.6934 BFGS: 382 11:33:37 -874.288975 44.6997 BFGS: 383 11:33:37 -875.246114 44.7281 BFGS: 384 11:33:37 -876.255429 44.7633 BFGS: 385 11:33:38 -877.195064 44.8052 BFGS: 386 11:33:38 -878.166142 44.8646 BFGS: 387 11:33:39 -879.109170 44.9158 BFGS: 388 11:33:39 -880.056319 44.9805 BFGS: 389 11:33:39 -880.993610 45.0363 BFGS: 390 11:33:41 -881.929929 45.0984 BFGS: 391 11:33:41 -882.864650 45.1553 BFGS: 392 11:33:42 -883.818956 45.2136 BFGS: 393 11:33:42 -884.783949 45.2586 BFGS: 394 11:33:42 -885.792050 45.3168 BFGS: 395 11:33:43 -886.849723 45.3476 BFGS: 396 11:33:43 -887.998912 45.4070 BFGS: 397 11:33:43 -889.262526 45.4070 BFGS: 398 11:33:43 -890.707641 45.4648 BFGS: 399 11:33:44 -892.386024 45.3699 BFGS: 400 11:33:44 -894.389470 45.4652 BFGS: 401 11:33:45 -896.450601 45.8535 BFGS: 402 11:33:45 -898.920310 45.5461 BFGS: 403 11:33:46 -901.334156 45.1800 BFGS: 404 11:33:47 -903.418998 44.8244 BFGS: 405 11:33:47 -905.386845 44.7239 BFGS: 406 11:33:48 -907.573824 44.5943 BFGS: 407 11:33:48 -910.158047 44.5979 BFGS: 408 11:33:48 -913.558730 44.7579 BFGS: 409 11:33:49 -915.902967 44.9416 BFGS: 410 11:33:49 -917.977008 45.1930 BFGS: 411 11:33:50 -919.764910 45.5415 BFGS: 412 11:33:51 -921.513152 46.0453 BFGS: 413 11:33:51 -923.236965 46.5983 BFGS: 414 11:33:52 -925.006576 47.2376 BFGS: 415 11:33:53 -926.846417 47.9112 BFGS: 416 11:33:53 -928.794493 48.6161 BFGS: 417 11:33:54 -930.882189 49.2790 BFGS: 418 11:33:55 -933.139900 49.8864 BFGS: 419 11:33:55 -935.587636 50.3697 BFGS: 420 11:33:56 -938.211575 50.7300 BFGS: 421 11:33:56 -940.950567 50.8324 BFGS: 422 11:33:57 -943.724843 50.9075 BFGS: 423 11:33:57 -946.391091 50.6113 BFGS: 424 11:33:58 -948.937446 50.4548 BFGS: 425 11:33:58 -951.715030 51.1239 BFGS: 426 11:33:58 -953.956974 50.6502 BFGS: 427 11:33:59 -956.258501 50.0179 BFGS: 428 11:33:59 -958.300360 49.6516 BFGS: 429 11:34:00 -961.051399 46.6190 BFGS: 430 11:34:01 -963.688278 47.0874 BFGS: 431 11:34:01 -966.414741 45.4645 BFGS: 432 11:34:01 -968.891435 45.8289 BFGS: 433 11:34:02 -971.352662 45.5089 BFGS: 434 11:34:02 -973.764860 45.6013 BFGS: 435 11:34:02 -976.146485 45.6664 BFGS: 436 11:34:03 -978.530753 45.7033 BFGS: 437 11:34:03 -980.914159 45.7221 BFGS: 438 11:34:03 -983.296083 45.6887 BFGS: 439 11:34:03 -985.660493 45.6139 BFGS: 440 11:34:04 -988.020197 45.4678 BFGS: 441 11:34:04 -990.327248 45.2126 BFGS: 442 11:34:04 -992.625350 44.8194 BFGS: 443 11:34:05 -994.812372 44.2620 BFGS: 444 11:34:05 -996.974910 43.4977 BFGS: 445 11:34:06 -999.014532 44.0219 BFGS: 446 11:34:07 -1001.011323 43.4720 BFGS: 447 11:34:07 -1002.919257 43.8915 BFGS: 448 11:34:07 -1004.790011 43.3378 BFGS: 449 11:34:08 -1006.610520 43.5977 BFGS: 450 11:34:08 -1008.417183 42.9283 BFGS: 451 11:34:08 -1010.214015 43.0156 BFGS: 452 11:34:09 -1012.024687 42.2686 BFGS: 453 11:34:09 -1013.857278 42.0270 BFGS: 454 11:34:09 -1015.720784 41.1907 BFGS: 455 11:34:10 -1017.611673 40.5517 BFGS: 456 11:34:11 -1019.526560 39.5092 BFGS: 457 11:34:11 -1021.443183 38.5075 BFGS: 458 11:34:11 -1023.361299 37.2412 BFGS: 459 11:34:12 -1025.257305 35.9528 BFGS: 460 11:34:12 -1027.151651 34.4984 BFGS: 461 11:34:13 -1029.018701 32.9715 BFGS: 462 11:34:13 -1030.885174 31.3533 BFGS: 463 11:34:14 -1032.729259 29.6341 BFGS: 464 11:34:14 -1034.562152 27.8791 BFGS: 465 11:34:15 -1036.367530 26.0652 BFGS: 466 11:34:15 -1038.145268 24.3019 BFGS: 467 11:34:15 -1039.882730 24.6966 BFGS: 468 11:34:16 -1041.576506 25.1205 BFGS: 469 11:34:17 -1043.220598 25.5626 BFGS: 470 11:34:18 -1044.816397 26.0288 BFGS: 471 11:34:18 -1046.367577 26.5149 BFGS: 472 11:34:18 -1047.879611 27.0287 BFGS: 473 11:34:19 -1049.360693 27.5710 BFGS: 474 11:34:19 -1050.818100 28.1428 BFGS: 475 11:34:19 -1052.259695 28.7557 BFGS: 476 11:34:20 -1053.691532 29.4005 BFGS: 477 11:34:20 -1055.121041 30.0948 BFGS: 478 11:34:21 -1056.552642 30.8187 BFGS: 479 11:34:21 -1057.990623 31.6049 BFGS: 480 11:34:21 -1059.440490 32.4122 BFGS: 481 11:34:21 -1060.908991 33.2934 BFGS: 482 11:34:22 -1062.398246 34.2031 BFGS: 483 11:34:22 -1063.916843 35.2106 BFGS: 484 11:34:22 -1065.428480 36.1987 BFGS: 485 11:34:23 -1066.930213 37.2712 BFGS: 486 11:34:23 -1068.417192 38.2795 BFGS: 487 11:34:24 -1069.892833 39.3885 BFGS: 488 11:34:25 -1071.356485 40.3723 BFGS: 489 11:34:26 -1072.814491 41.4696 BFGS: 490 11:34:26 -1074.268407 42.3918 BFGS: 491 11:34:27 -1075.719021 43.4220 BFGS: 492 11:34:27 -1077.164990 44.2744 BFGS: 493 11:34:28 -1078.601809 45.1981 BFGS: 494 11:34:29 -1080.027889 45.9809 BFGS: 495 11:34:30 -1081.436143 46.7839 BFGS: 496 11:34:30 -1082.828606 47.5024 BFGS: 497 11:34:31 -1084.200012 48.2040 BFGS: 498 11:34:31 -1085.553169 48.8592 BFGS: 499 11:34:31 -1086.883440 49.4962 BFGS: 500 11:34:32 -1088.194227 50.2482 BFGS: 501 11:34:32 -1089.478892 52.2858 BFGS: 502 11:34:33 -1090.745341 54.2039 BFGS: 503 11:34:33 -1091.988063 55.9865 BFGS: 504 11:34:34 -1093.220928 57.6405 BFGS: 505 11:34:35 -1094.439207 59.1417 BFGS: 506 11:34:35 -1095.665231 60.5232 BFGS: 507 11:34:36 -1096.896073 61.7465 BFGS: 508 11:34:36 -1098.177833 62.8445 BFGS: 509 11:34:37 -1099.542379 63.8394 BFGS: 510 11:34:37 -1101.035479 64.6335 BFGS: 511 11:34:37 -1102.591019 65.2887 BFGS: 512 11:34:37 -1104.211717 65.6067 BFGS: 513 11:34:37 -1105.922579 65.9115 BFGS: 514 11:34:37 -1107.702851 65.8043 BFGS: 515 11:34:37 -1109.607635 65.7364 BFGS: 516 11:34:38 -1111.475024 65.2382 BFGS: 517 11:34:38 -1113.439151 64.8385 BFGS: 518 11:34:38 -1115.226345 64.0249 BFGS: 519 11:34:38 -1117.235651 63.4133 BFGS: 520 11:34:38 -1119.066620 63.0210 BFGS: 521 11:34:38 -1120.727779 63.0384 BFGS: 522 11:34:39 -1122.730423 63.2004 BFGS: 523 11:34:39 -1124.643509 63.2836 BFGS: 524 11:34:40 -1126.420148 63.2694 BFGS: 525 11:34:40 -1128.073603 63.1858 BFGS: 526 11:34:41 -1129.830044 63.1237 BFGS: 527 11:34:41 -1131.558981 63.0533 BFGS: 528 11:34:41 -1133.285937 62.9635 BFGS: 529 11:34:42 -1135.033977 62.9083 BFGS: 530 11:34:42 -1136.804885 62.8554 BFGS: 531 11:34:42 -1138.609328 62.8328 BFGS: 532 11:34:43 -1140.411766 62.8127 BFGS: 533 11:34:43 -1142.242052 62.8138 BFGS: 534 11:34:44 -1144.069745 62.8136 BFGS: 535 11:34:45 -1145.933270 62.8110 BFGS: 536 11:34:46 -1147.844814 62.7911 BFGS: 537 11:34:47 -1149.932980 62.7556 BFGS: 538 11:34:47 -1152.275674 62.5963 BFGS: 539 11:34:47 -1154.265922 62.1237 BFGS: 540 11:34:48 -1156.254074 61.4893 BFGS: 541 11:34:48 -1158.413840 60.8002 BFGS: 542 11:34:48 -1160.458166 59.7487 BFGS: 543 11:34:48 -1162.484420 58.5924 BFGS: 544 11:34:48 -1164.339718 57.1982 BFGS: 545 11:34:48 -1166.149502 55.8098 BFGS: 546 11:34:48 -1167.862987 54.2926 BFGS: 547 11:34:49 -1169.531485 52.8718 BFGS: 548 11:34:49 -1171.149670 51.4016 BFGS: 549 11:34:49 -1172.721891 50.0882 BFGS: 550 11:34:49 -1174.280629 48.7774 BFGS: 551 11:34:49 -1175.802534 47.6280 BFGS: 552 11:34:49 -1177.332896 46.5091 BFGS: 553 11:34:49 -1178.834696 45.5356 BFGS: 554 11:34:49 -1180.360418 44.6046 BFGS: 555 11:34:49 -1181.865402 43.8007 BFGS: 556 11:34:49 -1183.406989 43.0444 BFGS: 557 11:34:50 -1184.938953 42.3973 BFGS: 558 11:34:51 -1186.518390 41.7957 BFGS: 559 11:34:51 -1188.105054 41.2791 BFGS: 560 11:34:51 -1189.747597 40.8101 BFGS: 561 11:34:52 -1191.406304 40.4125 BFGS: 562 11:34:52 -1193.126748 40.0721 BFGS: 563 11:34:53 -1194.870761 39.7882 BFGS: 564 11:34:53 -1196.679091 39.5595 BFGS: 565 11:34:54 -1198.522143 39.6641 BFGS: 566 11:34:54 -1200.426429 40.0398 BFGS: 567 11:34:55 -1202.370072 40.4453 BFGS: 568 11:34:56 -1204.372951 40.8218 BFGS: 569 11:34:56 -1206.410767 41.2216 BFGS: 570 11:34:57 -1208.506189 41.6143 BFGS: 571 11:34:57 -1210.628633 42.0479 BFGS: 572 11:34:58 -1212.801827 42.4743 BFGS: 573 11:34:58 -1215.001062 42.9325 BFGS: 574 11:34:59 -1217.246263 43.3898 BFGS: 575 11:34:59 -1219.505346 43.8754 BFGS: 576 11:34:59 -1221.802728 44.3521 BFGS: 577 11:34:59 -1224.099502 44.9416 BFGS: 578 11:35:00 -1226.427856 45.9338 BFGS: 579 11:35:01 -1228.736379 46.9441 BFGS: 580 11:35:01 -1231.077607 47.8569 BFGS: 581 11:35:02 -1233.381885 48.8296 BFGS: 582 11:35:02 -1235.745153 49.6134 BFGS: 583 11:35:03 -1238.036577 50.5801 BFGS: 584 11:35:03 -1240.448083 51.1901 BFGS: 585 11:35:03 -1242.761804 52.1512 BFGS: 586 11:35:04 -1245.199834 52.6661 BFGS: 587 11:35:04 -1247.537371 53.5317 BFGS: 588 11:35:05 -1249.961043 54.0028 BFGS: 589 11:35:05 -1252.318267 54.7125 BFGS: 590 11:35:06 -1254.719035 55.1390 BFGS: 591 11:35:06 -1257.082496 55.6980 BFGS: 592 11:35:07 -1259.471644 56.0532 BFGS: 593 11:35:07 -1261.843848 56.4748 BFGS: 594 11:35:08 -1264.225262 56.7493 BFGS: 595 11:35:09 -1266.607432 57.0385 BFGS: 596 11:35:09 -1269.007947 58.0381 BFGS: 597 11:35:10 -1271.418229 59.7278 BFGS: 598 11:35:10 -1273.859626 61.4620 BFGS: 599 11:35:11 -1276.310930 63.2117 BFGS: 600 11:35:12 -1278.793962 64.9851 BFGS: 601 11:35:12 -1281.295525 66.7540 BFGS: 602 11:35:13 -1283.825531 68.5155 BFGS: 603 11:35:14 -1286.366572 70.2483 BFGS: 604 11:35:15 -1288.921349 71.9468 BFGS: 605 11:35:15 -1291.465624 73.6036 BFGS: 606 11:35:16 -1294.023325 75.2026 BFGS: 607 11:35:16 -1296.564874 76.7347 BFGS: 608 11:35:17 -1299.119951 78.1950 BFGS: 609 11:35:17 -1301.637144 79.5666 BFGS: 610 11:35:18 -1304.170379 80.8411 BFGS: 611 11:35:18 -1306.641116 82.0106 BFGS: 612 11:35:19 -1309.139869 83.0490 BFGS: 613 11:35:20 -1311.539459 83.9883 BFGS: 614 11:35:21 -1313.990916 84.7533 BFGS: 615 11:35:21 -1316.313867 85.4688 BFGS: 616 11:35:22 -1318.691917 85.9788 BFGS: 617 11:35:22 -1320.968642 86.4524 BFGS: 618 11:35:23 -1323.262408 86.7396 BFGS: 619 11:35:23 -1325.493264 86.9957 BFGS: 620 11:35:24 -1327.701444 87.1302 BFGS: 621 11:35:24 -1329.864690 87.2430 BFGS: 622 11:35:25 -1331.986858 87.2535 BFGS: 623 11:35:25 -1334.074675 87.2430 BFGS: 624 11:35:25 -1336.112669 87.1714 BFGS: 625 11:35:27 -1338.117971 87.0840 BFGS: 626 11:35:27 -1340.070089 86.9590 BFGS: 627 11:35:27 -1341.992670 86.8202 BFGS: 628 11:35:27 -1343.859948 86.6623 BFGS: 629 11:35:28 -1345.701975 86.4865 BFGS: 630 11:35:28 -1347.493317 86.3093 BFGS: 631 11:35:29 -1349.255950 86.1135 BFGS: 632 11:35:29 -1350.981362 85.9356 BFGS: 633 11:35:29 -1352.684911 85.7083 BFGS: 634 11:35:29 -1354.353987 85.5272 BFGS: 635 11:35:30 -1356.009417 85.2940 BFGS: 636 11:35:30 -1357.642598 85.0948 BFGS: 637 11:35:31 -1359.264515 84.8602 BFGS: 638 11:35:32 -1360.872740 84.6568 BFGS: 639 11:35:32 -1362.471574 84.4194 BFGS: 640 11:35:32 -1364.061594 84.2034 BFGS: 641 11:35:33 -1365.646832 83.9715 BFGS: 642 11:35:34 -1367.232872 83.7461 BFGS: 643 11:35:35 -1368.816565 83.5115 BFGS: 644 11:35:35 -1370.402207 83.2806 BFGS: 645 11:35:36 -1371.986097 83.0475 BFGS: 646 11:35:37 -1373.572609 82.8274 BFGS: 647 11:35:37 -1375.157466 82.5941 BFGS: 648 11:35:38 -1376.742209 82.3717 BFGS: 649 11:35:38 -1378.328773 82.1405 BFGS: 650 11:35:39 -1379.916819 81.9142 BFGS: 651 11:35:40 -1381.506693 81.6811 BFGS: 652 11:35:41 -1383.093300 81.4489 BFGS: 653 11:35:42 -1384.682598 81.2227 BFGS: 654 11:35:42 -1386.276244 80.9868 BFGS: 655 11:35:42 -1387.871141 80.7384 BFGS: 656 11:35:43 -1389.470107 80.4837 BFGS: 657 11:35:44 -1391.073825 80.2180 BFGS: 658 11:35:44 -1392.677392 79.9390 BFGS: 659 11:35:45 -1394.287185 79.6450 BFGS: 660 11:35:45 -1395.898013 79.3369 BFGS: 661 11:35:46 -1397.515240 79.0140 BFGS: 662 11:35:46 -1399.138488 78.6680 BFGS: 663 11:35:47 -1400.768677 78.3107 BFGS: 664 11:35:47 -1402.399957 77.9307 BFGS: 665 11:35:47 -1404.041142 77.5452 BFGS: 666 11:35:48 -1405.684239 77.1255 BFGS: 667 11:35:48 -1407.341051 76.7253 BFGS: 668 11:35:49 -1408.988077 76.2707 BFGS: 669 11:35:50 -1410.662949 75.8593 BFGS: 670 11:35:50 -1412.319765 75.3544 BFGS: 671 11:35:51 -1414.014169 74.9442 BFGS: 672 11:35:52 -1415.686358 74.4135 BFGS: 673 11:35:53 -1417.393218 73.9627 BFGS: 674 11:35:54 -1419.094213 73.4340 BFGS: 675 11:35:54 -1420.810542 72.9569 BFGS: 676 11:35:55 -1422.532817 72.4401 BFGS: 677 11:35:56 -1424.267814 71.9463 BFGS: 678 11:35:56 -1426.011134 71.4322 BFGS: 679 11:35:57 -1427.762940 70.9376 BFGS: 680 11:35:58 -1429.524292 70.4358 BFGS: 681 11:35:59 -1431.295737 69.9445 BFGS: 682 11:35:59 -1433.081159 69.4435 BFGS: 683 11:35:59 -1434.881504 68.9572 BFGS: 684 11:36:00 -1436.686309 68.4646 BFGS: 685 11:36:00 -1438.510999 67.9662 BFGS: 686 11:36:00 -1440.347292 67.4685 BFGS: 687 11:36:01 -1442.203786 66.9591 BFGS: 688 11:36:02 -1444.076596 67.6497 BFGS: 689 11:36:02 -1445.961912 68.6752 BFGS: 690 11:36:03 -1447.866461 69.6230 BFGS: 691 11:36:03 -1449.794351 70.4896 BFGS: 692 11:36:03 -1451.737851 71.2800 BFGS: 693 11:36:04 -1453.708054 71.9856 BFGS: 694 11:36:04 -1455.701548 72.6052 BFGS: 695 11:36:05 -1457.722777 73.1376 BFGS: 696 11:36:05 -1459.775573 73.5920 BFGS: 697 11:36:06 -1461.864283 73.9467 BFGS: 698 11:36:07 -1463.988929 74.2174 BFGS: 699 11:36:07 -1466.164451 74.3807 BFGS: 700 11:36:07 -1468.383335 74.4764 BFGS: 701 11:36:08 -1470.672525 74.4077 BFGS: 702 11:36:08 -1473.000349 74.3849 BFGS: 703 11:36:09 -1475.457395 73.8849 BFGS: 704 11:36:09 -1477.855426 74.2165 BFGS: 705 11:36:10 -1480.739426 72.2284 BFGS: 706 11:36:10 -1483.333956 72.9215 BFGS: 707 11:36:11 -1486.338788 71.5531 BFGS: 708 11:36:11 -1489.229518 70.7812 BFGS: 709 11:36:12 -1492.221131 69.6484 BFGS: 710 11:36:13 -1495.240276 68.3694 BFGS: 711 11:36:13 -1498.346311 66.8361 BFGS: 712 11:36:14 -1501.481139 65.0823 BFGS: 713 11:36:15 -1504.703519 63.0832 BFGS: 714 11:36:15 -1507.957004 60.8800 BFGS: 715 11:36:16 -1511.340091 59.0633 BFGS: 716 11:36:16 -1514.806998 59.3217 BFGS: 717 11:36:17 -1518.481936 59.6951 BFGS: 718 11:36:17 -1522.322762 60.1602 BFGS: 719 11:36:18 -1526.315908 60.7871 BFGS: 720 11:36:19 -1530.115853 61.5263 BFGS: 721 11:36:20 -1533.512369 62.3868 BFGS: 722 11:36:20 -1536.890394 63.2256 BFGS: 723 11:36:21 -1540.135757 64.0577 BFGS: 724 11:36:21 -1543.539848 65.9149 BFGS: 725 11:36:22 -1547.365811 68.8190 BFGS: 726 11:36:23 -1551.902674 67.9955 BFGS: 727 11:36:23 -1557.732139 68.1656 BFGS: 728 11:36:24 -1562.549008 64.6835 BFGS: 729 11:36:25 -1569.730120 61.5810 BFGS: 730 11:36:25 -1574.843760 59.7782 BFGS: 731 11:36:26 -1581.059717 57.5800 BFGS: 732 11:36:27 -1586.995813 54.7849 BFGS: 733 11:36:27 -1591.722188 53.3907 BFGS: 734 11:36:28 -1595.074895 52.4259 BFGS: 735 11:36:29 -1601.045447 53.6921 BFGS: 736 11:36:30 -1604.820617 54.4200 BFGS: 737 11:36:30 -1610.076017 56.9456 BFGS: 738 11:36:31 -1615.341449 59.6663 BFGS: 739 11:36:32 -1620.392162 61.7008 BFGS: 740 11:36:33 -1624.583197 63.5477 BFGS: 741 11:36:33 -1628.462130 64.2607 BFGS: 742 11:36:33 -1631.682285 65.1850 BFGS: 743 11:36:34 -1634.690104 65.3259 BFGS: 744 11:36:35 -1637.516583 68.6836 BFGS: 745 11:36:35 -1640.229729 71.5398 BFGS: 746 11:36:35 -1642.910200 74.3504 BFGS: 747 11:36:35 -1645.604174 76.3180 BFGS: 748 11:36:36 -1648.335399 78.2504 BFGS: 749 11:36:36 -1651.119143 79.6003 BFGS: 750 11:36:36 -1653.959697 80.8914 BFGS: 751 11:36:36 -1656.858022 81.7677 BFGS: 752 11:36:37 -1659.840669 82.5843 BFGS: 753 11:36:37 -1662.912705 83.0460 BFGS: 754 11:36:37 -1666.101335 83.4215 BFGS: 755 11:36:38 -1669.315070 83.3744 BFGS: 756 11:36:39 -1672.478816 83.2065 BFGS: 757 11:36:39 -1675.348013 82.3597 BFGS: 758 11:36:40 -1678.116062 81.0331 BFGS: 759 11:36:40 -1680.824719 77.6410 BFGS: 760 11:36:41 -1684.174089 74.0470 BFGS: 761 11:36:41 -1686.763704 69.2957 BFGS: 762 11:36:41 -1689.945772 65.9442 BFGS: 763 11:36:41 -1692.444492 62.4502 BFGS: 764 11:36:42 -1694.813880 60.1314 BFGS: 765 11:36:42 -1697.002402 58.3802 BFGS: 766 11:36:43 -1699.060911 56.9365 BFGS: 767 11:36:43 -1701.014744 55.9746 BFGS: 768 11:36:44 -1702.880246 55.0829 BFGS: 769 11:36:44 -1704.687636 54.5452 BFGS: 770 11:36:44 -1706.437991 53.9919 BFGS: 771 11:36:45 -1708.154711 53.7109 BFGS: 772 11:36:46 -1709.832959 53.4001 BFGS: 773 11:36:47 -1711.487822 53.2881 BFGS: 774 11:36:47 -1713.112281 53.1583 BFGS: 775 11:36:48 -1714.712201 53.1758 BFGS: 776 11:36:49 -1716.275926 53.2056 BFGS: 777 11:36:49 -1717.800625 54.3100 BFGS: 778 11:36:50 -1719.273638 56.0328 BFGS: 779 11:36:50 -1720.686851 57.6296 BFGS: 780 11:36:51 -1722.026996 59.1473 BFGS: 781 11:36:51 -1723.289048 60.5307 BFGS: 782 11:36:52 -1724.466781 61.8002 BFGS: 783 11:36:52 -1725.564629 62.9480 BFGS: 784 11:36:52 -1726.585085 63.9410 BFGS: 785 11:36:52 -1727.539926 64.8283 BFGS: 786 11:36:53 -1728.435069 65.5555 BFGS: 787 11:36:54 -1729.283613 66.2062 BFGS: 788 11:36:54 -1730.089621 66.7010 BFGS: 789 11:36:55 -1730.865588 67.1713 BFGS: 790 11:36:55 -1731.612237 67.4817 BFGS: 791 11:36:56 -1732.339234 67.8028 BFGS: 792 11:36:57 -1733.045102 67.9679 BFGS: 793 11:36:57 -1733.738451 68.1776 BFGS: 794 11:36:58 -1734.415212 68.2176 BFGS: 795 11:36:58 -1735.084119 68.3453 BFGS: 796 11:36:59 -1735.738515 68.2762 BFGS: 797 11:37:00 -1736.388494 68.3401 BFGS: 798 11:37:00 -1737.025808 68.1841 BFGS: 799 11:37:01 -1737.660370 68.1947 BFGS: 800 11:37:01 -1738.284271 67.9728 BFGS: 801 11:37:03 -1738.907882 67.9570 BFGS: 802 11:37:04 -1739.521653 67.6908 BFGS: 803 11:37:04 -1740.136494 67.6287 BFGS: 804 11:37:04 -1740.743491 67.3497 BFGS: 805 11:37:04 -1741.352014 67.2626 BFGS: 806 11:37:04 -1741.954059 66.9711 BFGS: 807 11:37:04 -1742.557927 66.8457 BFGS: 808 11:37:05 -1743.156848 66.5467 BFGS: 809 11:37:05 -1743.757628 66.3819 BFGS: 810 11:37:06 -1744.354428 66.0608 BFGS: 811 11:37:06 -1744.953549 65.8592 BFGS: 812 11:37:06 -1745.549928 65.5376 BFGS: 813 11:37:07 -1746.148266 65.2989 BFGS: 814 11:37:07 -1746.744814 64.9640 BFGS: 815 11:37:07 -1747.343284 64.6827 BFGS: 816 11:37:07 -1747.940736 64.3344 BFGS: 817 11:37:07 -1748.540051 64.0336 BFGS: 818 11:37:07 -1749.138329 63.6665 BFGS: 819 11:37:08 -1749.738759 63.3402 BFGS: 820 11:37:08 -1750.338584 62.9569 BFGS: 821 11:37:08 -1750.940408 62.9582 BFGS: 822 11:37:08 -1751.541761 63.1293 BFGS: 823 11:37:09 -1752.145319 63.2731 BFGS: 824 11:37:09 -1752.748546 63.4271 BFGS: 825 11:37:10 -1753.353613 63.5576 BFGS: 826 11:37:10 -1753.958950 63.6949 BFGS: 827 11:37:11 -1754.565736 63.8019 BFGS: 828 11:37:11 -1755.173441 63.9208 BFGS: 829 11:37:11 -1755.782227 64.0109 BFGS: 830 11:37:12 -1756.391734 64.1087 BFGS: 831 11:37:13 -1757.002655 64.1751 BFGS: 832 11:37:13 -1757.614409 64.2450 BFGS: 833 11:37:14 -1758.227636 64.2829 BFGS: 834 11:37:14 -1758.842105 64.3194 BFGS: 835 11:37:15 -1759.458099 64.3341 BFGS: 836 11:37:15 -1760.075721 64.3400 BFGS: 837 11:37:16 -1760.695419 64.3210 BFGS: 838 11:37:16 -1761.317155 64.2977 BFGS: 839 11:37:17 -1761.941556 64.2467 BFGS: 840 11:37:17 -1762.568386 64.1906 BFGS: 841 11:37:17 -1763.198588 64.1075 BFGS: 842 11:37:18 -1763.831854 64.0172 BFGS: 843 11:37:18 -1764.468932 63.9038 BFGS: 844 11:37:19 -1765.109904 63.7921 BFGS: 845 11:37:19 -1765.755373 63.6541 BFGS: 846 11:37:19 -1766.405338 63.5218 BFGS: 847 11:37:19 -1767.061276 63.3677 BFGS: 848 11:37:20 -1767.722464 63.2252 BFGS: 849 11:37:20 -1768.390904 63.0612 BFGS: 850 11:37:20 -1769.064623 62.9224 BFGS: 851 11:37:21 -1769.747198 62.7637 BFGS: 852 11:37:21 -1770.435984 62.6482 BFGS: 853 11:37:21 -1771.134764 62.5043 BFGS: 854 11:37:21 -1771.840647 62.4197 BFGS: 855 11:37:21 -1772.558150 62.3015 BFGS: 856 11:37:21 -1773.282426 62.2530 BFGS: 857 11:37:22 -1774.019466 62.1590 BFGS: 858 11:37:22 -1774.764000 62.1510 BFGS: 859 11:37:22 -1775.524015 62.0789 BFGS: 860 11:37:22 -1776.290726 62.1150 BFGS: 861 11:37:23 -1777.075630 62.0659 BFGS: 862 11:37:23 -1777.865722 62.1265 BFGS: 863 11:37:24 -1778.677933 62.0914 BFGS: 864 11:37:24 -1779.494608 62.1697 BFGS: 865 11:37:25 -1780.335265 62.1340 BFGS: 866 11:37:25 -1781.181531 62.2115 BFGS: 867 11:37:26 -1782.053917 62.1806 BFGS: 868 11:37:26 -1782.933116 62.2242 BFGS: 869 11:37:26 -1783.839445 62.1915 BFGS: 870 11:37:27 -1784.754922 62.1709 BFGS: 871 11:37:28 -1785.695106 62.1385 BFGS: 872 11:37:28 -1786.648548 62.0163 BFGS: 873 11:37:29 -1787.624094 61.9831 BFGS: 874 11:37:29 -1788.617901 61.7422 BFGS: 875 11:37:30 -1789.629698 61.6777 BFGS: 876 11:37:31 -1790.664884 61.3476 BFGS: 877 11:37:31 -1791.717046 61.1875 BFGS: 878 11:37:32 -1792.794041 60.7895 BFGS: 879 11:37:33 -1793.889381 60.5005 BFGS: 880 11:37:33 -1795.010171 60.0200 BFGS: 881 11:37:34 -1796.150570 59.5968 BFGS: 882 11:37:34 -1797.313664 59.0175 BFGS: 883 11:37:35 -1798.497122 58.4579 BFGS: 884 11:37:35 -1799.700520 57.7666 BFGS: 885 11:37:37 -1800.922177 57.0657 BFGS: 886 11:37:37 -1802.162844 56.2407 BFGS: 887 11:37:38 -1803.419575 55.3868 BFGS: 888 11:37:39 -1804.690264 54.4204 BFGS: 889 11:37:39 -1805.973781 53.4110 BFGS: 890 11:37:40 -1807.265003 52.2931 BFGS: 891 11:37:40 -1808.563932 51.1256 BFGS: 892 11:37:41 -1809.863362 49.8509 BFGS: 893 11:37:42 -1811.164582 48.5312 BFGS: 894 11:37:42 -1812.456937 47.0974 BFGS: 895 11:37:43 -1813.743998 45.6125 BFGS: 896 11:37:44 -1815.008990 44.0281 BFGS: 897 11:37:45 -1816.262996 42.3905 BFGS: 898 11:37:45 -1817.484370 40.6522 BFGS: 899 11:37:46 -1818.687162 38.8746 BFGS: 900 11:37:46 -1819.849205 37.0104 BFGS: 901 11:37:47 -1820.983994 35.1129 BFGS: 902 11:37:47 -1822.068718 33.1435 BFGS: 903 11:37:48 -1823.121107 31.1621 BFGS: 904 11:37:48 -1824.119693 29.1423 BFGS: 905 11:37:48 -1825.087934 27.1349 BFGS: 906 11:37:49 -1826.006138 25.1425 BFGS: 907 11:37:50 -1826.910957 23.2065 BFGS: 908 11:37:51 -1827.781610 21.3859 BFGS: 909 11:37:51 -1828.685312 19.7025 BFGS: 910 11:37:51 -1829.597869 18.3640 BFGS: 911 11:37:52 -1830.642748 19.3729 BFGS: 912 11:37:52 -1831.767391 21.0864 BFGS: 913 11:37:53 -1833.239898 25.4464 BFGS: 914 11:37:54 -1834.523329 26.8380 BFGS: 915 11:37:54 -1835.541314 31.6032 BFGS: 916 11:37:55 -1836.558137 29.8396 BFGS: 917 11:37:55 -1837.748754 30.2837 BFGS: 918 11:37:56 -1838.742256 27.0583 BFGS: 919 11:37:56 -1839.747262 25.9488 BFGS: 920 11:37:57 -1840.824812 26.9565 BFGS: 921 11:37:58 -1842.019230 27.7270 BFGS: 922 11:37:58 -1843.450091 28.1765 BFGS: 923 11:37:58 -1845.143514 28.4669 BFGS: 924 11:37:59 -1847.248742 28.4535 BFGS: 925 11:37:59 -1849.785926 28.0695 BFGS: 926 11:37:59 -1852.894254 27.0250 BFGS: 927 11:38:00 -1855.502557 28.7780 BFGS: 928 11:38:00 -1857.566627 29.0234 BFGS: 929 11:38:01 -1859.364242 26.5788 BFGS: 930 11:38:01 -1861.101812 25.7244 BFGS: 931 11:38:02 -1862.655742 25.0435 BFGS: 932 11:38:02 -1864.198675 24.0221 BFGS: 933 11:38:03 -1865.506099 22.8598 BFGS: 934 11:38:03 -1866.786700 21.0777 BFGS: 935 11:38:04 -1867.840783 20.4242 BFGS: 936 11:38:04 -1868.849926 20.7397 BFGS: 937 11:38:04 -1869.720322 21.1540 BFGS: 938 11:38:05 -1870.670133 21.7254 BFGS: 939 11:38:06 -1872.355141 21.1229 BFGS: 940 11:38:06 -1873.624915 20.3147 BFGS: 941 11:38:07 -1875.147888 18.5555 BFGS: 942 11:38:07 -1875.664514 18.9016 BFGS: 943 11:38:08 -1876.221415 18.8586 BFGS: 944 11:38:08 -1876.620118 18.3447 BFGS: 945 11:38:09 -1876.956519 17.6229 BFGS: 946 11:38:09 -1877.275016 16.6418 BFGS: 947 11:38:10 -1877.596257 15.4213 BFGS: 948 11:38:10 -1877.943205 13.9419 BFGS: 949 11:38:11 -1878.335623 12.3757 BFGS: 950 11:38:11 -1878.805609 11.1101 BFGS: 951 11:38:12 -1879.392979 12.0104 BFGS: 952 11:38:12 -1879.936831 14.7949 BFGS: 953 11:38:13 -1880.307729 15.6296 BFGS: 954 11:38:13 -1880.602105 14.8548 BFGS: 955 11:38:13 -1880.844589 14.5473 BFGS: 956 11:38:14 -1881.150039 14.8008 BFGS: 957 11:38:14 -1881.454544 15.4446 BFGS: 958 11:38:15 -1881.713923 19.3266 BFGS: 959 11:38:15 -1881.830596 18.9616 BFGS: 960 11:38:16 -1881.908774 19.3578 BFGS: 961 11:38:16 -1882.004024 19.9126 BFGS: 962 11:38:17 -1882.131112 20.3532 BFGS: 963 11:38:17 -1882.310099 21.5134 BFGS: 964 11:38:18 -1882.442907 21.7161 BFGS: 965 11:38:18 -1882.625675 21.9680 BFGS: 966 11:38:19 -1882.794232 21.1749 BFGS: 967 11:38:19 -1883.251297 17.5844 BFGS: 968 11:38:19 -1883.712643 17.0313 BFGS: 969 11:38:19 -1884.829653 18.5948 BFGS: 970 11:38:20 -1885.835433 20.2993 BFGS: 971 11:38:21 -1887.238275 22.4357 BFGS: 972 11:38:21 -1887.956394 22.4020 BFGS: 973 11:38:22 -1888.487966 23.2552 BFGS: 974 11:38:22 -1888.993666 23.2528 BFGS: 975 11:38:23 -1889.439216 22.5339 BFGS: 976 11:38:23 -1889.772970 21.6805 BFGS: 977 11:38:24 -1890.057435 23.0985 BFGS: 978 11:38:24 -1890.225524 23.4921 BFGS: 979 11:38:25 -1890.355727 24.1959 BFGS: 980 11:38:25 -1890.471568 24.3503 BFGS: 981 11:38:26 -1890.588637 25.0113 BFGS: 982 11:38:26 -1890.730504 24.8546 BFGS: 983 11:38:27 -1890.910606 25.6635 BFGS: 984 11:38:27 -1891.176100 26.8464 BFGS: 985 11:38:27 -1891.466770 26.8275 BFGS: 986 11:38:28 -1891.656263 27.4339 BFGS: 987 11:38:29 -1891.833253 27.2068 BFGS: 988 11:38:29 -1891.990101 27.7664 BFGS: 989 11:38:30 -1892.141028 28.5200 BFGS: 990 11:38:30 -1892.287206 29.4067 BFGS: 991 11:38:31 -1892.436260 30.2848 BFGS: 992 11:38:31 -1892.589783 31.2014 BFGS: 993 11:38:31 -1892.748306 32.5263 BFGS: 994 11:38:32 -1892.913540 33.8252 BFGS: 995 11:38:33 -1893.080611 35.0424 BFGS: 996 11:38:34 -1893.268806 36.5214 BFGS: 997 11:38:34 -1893.466935 37.0963 BFGS: 998 11:38:35 -1893.669325 37.7720 BFGS: 999 11:38:36 -1893.870357 38.3458 BFGS: 1000 11:38:37 -1894.071793 39.0496 BFGS: 1001 11:38:37 -1894.274393 40.1134 BFGS: 1002 11:38:38 -1894.479008 41.1764 BFGS: 1003 11:38:38 -1894.687233 42.2433 BFGS: 1004 11:38:39 -1894.901869 43.2978 BFGS: 1005 11:38:40 -1895.126786 44.3476 BFGS: 1006 11:38:40 -1895.368096 45.3862 BFGS: 1007 11:38:41 -1895.630742 46.4277 BFGS: 1008 11:38:41 -1895.922867 47.4554 BFGS: 1009 11:38:42 -1896.247617 48.5012 BFGS: 1010 11:38:43 -1896.616447 49.5335 BFGS: 1011 11:38:43 -1897.036972 50.6365 BFGS: 1012 11:38:43 -1897.528531 51.6328 BFGS: 1013 11:38:44 -1898.126296 52.9477 BFGS: 1014 11:38:45 -1898.842089 53.5903 BFGS: 1015 11:38:45 -1899.560170 55.1372 BFGS: 1016 11:38:46 -1900.343802 55.1584 BFGS: 1017 11:38:46 -1901.132598 55.9635 BFGS: 1018 11:38:46 -1902.022205 55.9140 BFGS: 1019 11:38:47 -1903.182550 55.6465 BFGS: 1020 11:38:47 -1905.057761 55.4572 BFGS: 1021 11:38:47 -1906.328598 55.8522 BFGS: 1022 11:38:49 -1908.372238 55.3932 BFGS: 1023 11:38:49 -1909.538318 54.3560 BFGS: 1024 11:38:50 -1911.153960 52.9209 BFGS: 1025 11:38:51 -1912.826029 50.9505 BFGS: 1026 11:38:51 -1914.752968 48.9706 BFGS: 1027 11:38:51 -1916.829116 46.4678 BFGS: 1028 11:38:52 -1919.029098 44.2769 BFGS: 1029 11:38:52 -1921.221208 43.0069 BFGS: 1030 11:38:53 -1923.216436 43.7920 BFGS: 1031 11:38:53 -1924.969642 44.4263 BFGS: 1032 11:38:53 -1926.912034 42.6104 BFGS: 1033 11:38:54 -1929.235241 41.0768 BFGS: 1034 11:38:54 -1931.755344 43.4569 BFGS: 1035 11:38:54 -1934.812820 43.9228 BFGS: 1036 11:38:55 -1937.471847 43.1465 BFGS: 1037 11:38:56 -1939.144415 35.3139 BFGS: 1038 11:38:56 -1941.689733 33.1515 BFGS: 1039 11:38:57 -1942.435552 34.0504 BFGS: 1040 11:38:58 -1943.082478 35.8982 BFGS: 1041 11:38:59 -1943.886375 40.3025 BFGS: 1042 11:38:59 -1944.611750 42.4799 BFGS: 1043 11:39:00 -1945.285580 43.0239 BFGS: 1044 11:39:01 -1945.889016 42.2973 BFGS: 1045 11:39:01 -1946.562096 40.9735 BFGS: 1046 11:39:01 -1947.277534 39.8869 BFGS: 1047 11:39:02 -1948.100309 38.1441 BFGS: 1048 11:39:02 -1949.005269 36.0320 BFGS: 1049 11:39:03 -1950.061186 32.6054 BFGS: 1050 11:39:04 -1951.279451 25.7361 BFGS: 1051 11:39:04 -1951.941812 22.7205 BFGS: 1052 11:39:05 -1952.589096 24.0052 BFGS: 1053 11:39:06 -1953.047600 23.9529 BFGS: 1054 11:39:07 -1953.441176 22.6282 BFGS: 1055 11:39:07 -1953.841122 21.1583 BFGS: 1056 11:39:08 -1954.221578 19.5404 BFGS: 1057 11:39:09 -1954.669290 17.6593 BFGS: 1058 11:39:09 -1955.140965 16.6539 BFGS: 1059 11:39:09 -1955.677705 13.4452 BFGS: 1060 11:39:10 -1956.216934 13.2942 BFGS: 1061 11:39:10 -1956.666402 12.2088 BFGS: 1062 11:39:12 -1957.048384 11.7803 BFGS: 1063 11:39:12 -1957.293832 11.1667 BFGS: 1064 11:39:13 -1957.421823 10.5628 BFGS: 1065 11:39:13 -1957.548547 9.6408 BFGS: 1066 11:39:14 -1957.617630 8.9570 BFGS: 1067 11:39:14 -1957.723062 7.9806 BFGS: 1068 11:39:15 -1957.900522 8.2222 BFGS: 1069 11:39:15 -1958.207339 9.5467 BFGS: 1070 11:39:16 -1958.426728 9.1286 BFGS: 1071 11:39:16 -1958.600241 7.8708 BFGS: 1072 11:39:17 -1958.728371 6.1510 BFGS: 1073 11:39:18 -1958.791233 5.2473 BFGS: 1074 11:39:18 -1958.799810 5.3965 BFGS: 1075 11:39:18 -1958.807613 5.6494 BFGS: 1076 11:39:19 -1958.814493 5.6495 BFGS: 1077 11:39:19 -1958.819344 5.6181 BFGS: 1078 11:39:20 -1958.822228 5.4572 BFGS: 1079 11:39:21 -1958.824304 5.3735 BFGS: 1080 11:39:21 -1958.826468 5.2808 BFGS: 1081 11:39:22 -1958.830239 5.2385 BFGS: 1082 11:39:22 -1958.838017 5.1997 BFGS: 1083 11:39:22 -1958.857397 5.2687 BFGS: 1084 11:39:23 -1958.899550 5.5873 BFGS: 1085 11:39:24 -1958.994249 6.1090 BFGS: 1086 11:39:25 -1959.113436 6.3715 BFGS: 1087 11:39:25 -1959.255256 6.4242 BFGS: 1088 11:39:26 -1959.399720 6.3288 BFGS: 1089 11:39:27 -1959.523173 6.1682 BFGS: 1090 11:39:28 -1959.610453 6.0284 BFGS: 1091 11:39:28 -1959.663858 6.0174 BFGS: 1092 11:39:28 -1959.699984 6.1105 BFGS: 1093 11:39:29 -1959.732249 6.2958 BFGS: 1094 11:39:30 -1959.764408 6.4639 BFGS: 1095 11:39:30 -1959.800109 6.6965 BFGS: 1096 11:39:31 -1959.856016 7.0068 BFGS: 1097 11:39:32 -1959.942321 7.3041 BFGS: 1098 11:39:33 -1960.070379 7.5932 BFGS: 1099 11:39:33 -1960.252340 7.8747 BFGS: 1100 11:39:34 -1960.501373 8.1436 BFGS: 1101 11:39:34 -1960.836921 8.3762 BFGS: 1102 11:39:35 -1961.281347 8.5643 BFGS: 1103 11:39:35 -1961.865351 8.6752 BFGS: 1104 11:39:36 -1962.625674 8.6911 BFGS: 1105 11:39:36 -1963.600709 9.3155 BFGS: 1106 11:39:37 -1964.827342 10.5837 BFGS: 1107 11:39:37 -1966.322967 11.8030 BFGS: 1108 11:39:38 -1968.084548 12.8616 BFGS: 1109 11:39:38 -1970.064104 13.5214 BFGS: 1110 11:39:39 -1972.186699 13.6898 BFGS: 1111 11:39:40 -1974.342148 13.2950 BFGS: 1112 11:39:41 -1976.446743 12.4242 BFGS: 1113 11:39:41 -1978.412751 12.1547 BFGS: 1114 11:39:42 -1980.314119 11.9124 BFGS: 1115 11:39:43 -1981.987067 11.5440 BFGS: 1116 11:39:43 -1983.631895 11.0719 BFGS: 1117 11:39:44 -1984.908901 11.3134 BFGS: 1118 11:39:45 -1986.154450 12.5356 BFGS: 1119 11:39:45 -1987.181253 14.3845 BFGS: 1120 11:39:46 -1988.108584 15.8453 BFGS: 1121 11:39:46 -1989.029844 18.4915 BFGS: 1122 11:39:47 -1989.987517 21.1809 BFGS: 1123 11:39:47 -1990.944777 23.6768 BFGS: 1124 11:39:47 -1991.907358 26.0224 BFGS: 1125 11:39:48 -1992.843733 28.2614 BFGS: 1126 11:39:49 -1993.756795 30.4471 BFGS: 1127 11:39:49 -1994.658011 32.3828 BFGS: 1128 11:39:49 -1995.563473 34.2060 BFGS: 1129 11:39:50 -1996.611416 34.6574 BFGS: 1130 11:39:50 -1997.567288 36.6136 BFGS: 1131 11:39:51 -1998.526975 34.7742 BFGS: 1132 11:39:52 -1999.533378 32.1532 BFGS: 1133 11:39:52 -1999.971462 27.5097 BFGS: 1134 11:39:53 -2000.323346 31.5150 BFGS: 1135 11:39:53 -2000.592403 28.4427 BFGS: 1136 11:39:54 -2000.939462 29.5416 BFGS: 1137 11:39:55 -2001.298393 28.9580 BFGS: 1138 11:39:56 -2001.994724 27.8722 BFGS: 1139 11:39:56 -2002.511220 26.4571 BFGS: 1140 11:39:57 -2002.853247 25.7022 BFGS: 1141 11:39:58 -2003.052726 26.0102 BFGS: 1142 11:39:59 -2003.210866 26.2458 BFGS: 1143 11:39:59 -2003.313747 26.8971 BFGS: 1144 11:40:00 -2003.441491 26.9792 BFGS: 1145 11:40:01 -2003.553792 27.0716 BFGS: 1146 11:40:01 -2003.665125 26.3441 BFGS: 1147 11:40:01 -2003.762812 26.4320 BFGS: 1148 11:40:02 -2003.868608 25.6914 BFGS: 1149 11:40:02 -2003.986592 25.8771 BFGS: 1150 11:40:03 -2004.119231 26.1971 BFGS: 1151 11:40:04 -2004.233803 26.7490 BFGS: 1152 11:40:04 -2004.306666 27.2933 BFGS: 1153 11:40:05 -2004.347326 27.7385 BFGS: 1154 11:40:06 -2004.374862 27.3393 BFGS: 1155 11:40:06 -2004.393707 27.4348 BFGS: 1156 11:40:07 -2004.419451 26.8343 BFGS: 1157 11:40:07 -2004.432710 26.6992 BFGS: 1158 11:40:08 -2004.458808 26.3862 BFGS: 1159 11:40:09 -2004.466611 26.3166 BFGS: 1160 11:40:09 -2004.473393 26.3973 BFGS: 1161 11:40:10 -2004.476202 26.3442 BFGS: 1162 11:40:10 -2004.498796 26.4483 BFGS: 1163 11:40:11 -2004.534880 26.5063 BFGS: 1164 11:40:11 -2004.614067 26.7190 BFGS: 1165 11:40:12 -2004.791567 27.0369 BFGS: 1166 11:40:13 -2005.020329 27.4378 BFGS: 1167 11:40:13 -2005.288276 27.7918 BFGS: 1168 11:40:14 -2005.585341 28.1576 BFGS: 1169 11:40:14 -2005.898120 28.5213 BFGS: 1170 11:40:15 -2006.213221 28.8950 BFGS: 1171 11:40:15 -2006.517156 29.2845 BFGS: 1172 11:40:16 -2006.797220 29.6905 BFGS: 1173 11:40:17 -2007.041602 30.1085 BFGS: 1174 11:40:17 -2007.241671 30.5393 BFGS: 1175 11:40:18 -2007.390866 30.9739 BFGS: 1176 11:40:18 -2007.486919 31.4083 BFGS: 1177 11:40:19 -2007.533423 31.8274 BFGS: 1178 11:40:19 -2007.547648 31.9317 BFGS: 1179 11:40:19 -2007.651840 31.9924 BFGS: 1180 11:40:19 -2007.792290 32.1929 BFGS: 1181 11:40:20 -2007.970969 32.3307 BFGS: 1182 11:40:21 -2008.191870 32.3943 BFGS: 1183 11:40:21 -2008.440699 32.4268 BFGS: 1184 11:40:21 -2008.717407 32.4075 BFGS: 1185 11:40:21 -2009.010975 32.3659 BFGS: 1186 11:40:22 -2009.321623 32.2833 BFGS: 1187 11:40:22 -2009.641386 32.1962 BFGS: 1188 11:40:23 -2009.971226 32.0750 BFGS: 1189 11:40:23 -2010.305524 31.9405 BFGS: 1190 11:40:24 -2010.644431 31.7833 BFGS: 1191 11:40:24 -2010.983677 31.6151 BFGS: 1192 11:40:25 -2011.323187 31.4285 BFGS: 1193 11:40:26 -2011.659443 31.2333 BFGS: 1194 11:40:26 -2011.992402 31.0159 BFGS: 1195 11:40:26 -2012.317540 30.8130 BFGS: 1196 11:40:26 -2012.635446 30.5826 BFGS: 1197 11:40:27 -2012.944520 30.3535 BFGS: 1198 11:40:27 -2013.245096 30.1077 BFGS: 1199 11:40:28 -2013.532889 29.8713 BFGS: 1200 11:40:29 -2013.809952 29.6109 BFGS: 1201 11:40:29 -2014.072156 29.3666 BFGS: 1202 11:40:30 -2014.322087 29.0974 BFGS: 1203 11:40:31 -2014.554786 28.8577 BFGS: 1204 11:40:31 -2014.773822 28.5765 BFGS: 1205 11:40:32 -2014.973932 28.3370 BFGS: 1206 11:40:33 -2015.159673 28.0616 BFGS: 1207 11:40:33 -2015.326031 27.8240 BFGS: 1208 11:40:34 -2015.477058 27.5579 BFGS: 1209 11:40:34 -2015.609141 27.3303 BFGS: 1210 11:40:34 -2015.725731 27.0793 BFGS: 1211 11:40:35 -2015.824943 26.8621 BFGS: 1212 11:40:36 -2015.910009 26.6354 BFGS: 1213 11:40:36 -2015.980503 26.4490 BFGS: 1214 11:40:36 -2016.039883 26.2522 BFGS: 1215 11:40:37 -2016.088545 26.1137 BFGS: 1216 11:40:38 -2016.129668 25.9637 BFGS: 1217 11:40:38 -2016.163756 25.8848 BFGS: 1218 11:40:39 -2016.192104 25.7837 BFGS: 1219 11:40:39 -2016.215818 25.7517 BFGS: 1220 11:40:40 -2016.235489 25.7007 BFGS: 1221 11:40:40 -2016.252128 25.6741 BFGS: 1222 11:40:41 -2016.265639 25.6670 BFGS: 1223 11:40:41 -2016.277063 25.6351 BFGS: 1224 11:40:42 -2016.285847 25.6936 BFGS: 1225 11:40:43 -2016.292824 25.6808 BFGS: 1226 11:40:43 -2016.298717 25.7878 BFGS: 1227 11:40:43 -2016.302955 25.7981 BFGS: 1228 11:40:44 -2016.305133 25.9071 BFGS: 1229 11:40:44 -2016.306301 25.8799 BFGS: 1230 11:40:45 -2016.307119 25.8726 BFGS: 1231 11:40:45 -2016.307639 25.8755 BFGS: 1232 11:40:46 -2016.308016 25.8733 BFGS: 1233 11:40:46 -2016.308238 25.8848 BFGS: 1234 11:40:46 -2016.308442 25.8727 BFGS: 1235 11:40:47 -2016.308579 25.8839 BFGS: 1236 11:40:47 -2016.308690 25.8584 BFGS: 1237 11:40:48 -2016.308742 25.8567 BFGS: 1238 11:40:48 -2016.308772 25.8449 BFGS: 1239 11:40:49 -2016.308784 25.8404 BFGS: 1240 11:40:49 -2016.308793 25.8337 BFGS: 1241 11:40:50 -2016.308795 25.8339 BFGS: 1242 11:40:50 -2016.308797 25.8338 BFGS: 1243 11:40:51 -2016.308797 25.8348 BFGS: 1244 11:40:51 -2016.308798 25.8370 BFGS: 1245 11:40:52 -2016.308800 25.8378 BFGS: 1246 11:40:52 -2016.308804 25.8397 BFGS: 1247 11:40:53 -2016.308814 25.8392 BFGS: 1248 11:40:53 -2016.308837 25.8390 BFGS: 1249 11:40:54 -2016.308899 25.8336 BFGS: 1250 11:40:54 -2016.309054 25.8250 BFGS: 1251 11:40:54 -2016.309458 25.8037 BFGS: 1252 11:40:55 -2016.310500 25.7680 BFGS: 1253 11:40:55 -2016.313225 25.6993 BFGS: 1254 11:40:56 -2016.320309 25.5823 BFGS: 1255 11:40:56 -2016.338820 25.3724 BFGS: 1256 11:40:57 -2016.387033 25.0091 BFGS: 1257 11:40:57 -2016.512456 24.3599 BFGS: 1258 11:40:58 -2016.835886 23.1977 BFGS: 1259 11:40:59 -2017.653451 21.0729 BFGS: 1260 11:41:00 -2018.833839 18.9715 BFGS: 1261 11:41:01 -2020.494901 17.5340 BFGS: 1262 11:41:01 -2022.872943 16.2161 BFGS: 1263 11:41:02 -2026.115109 14.5972 BFGS: 1264 11:41:02 -2030.537743 13.9226 BFGS: 1265 11:41:03 -2032.279917 14.3647 BFGS: 1266 11:41:03 -2033.511491 14.5471 BFGS: 1267 11:41:03 -2034.508788 14.6569 BFGS: 1268 11:41:03 -2035.403375 14.8723 BFGS: 1269 11:41:03 -2036.144694 14.9285 BFGS: 1270 11:41:03 -2036.890380 15.0908 BFGS: 1271 11:41:04 -2037.394419 14.9104 BFGS: 1272 11:41:04 -2037.987177 15.1516 BFGS: 1273 11:41:05 -2038.343666 14.9362 BFGS: 1274 11:41:06 -2038.665885 14.8628 BFGS: 1275 11:41:06 -2038.873691 14.6275 BFGS: 1276 11:41:07 -2038.999965 14.3821 BFGS: 1277 11:41:08 -2039.033869 14.1098 BFGS: 1278 11:41:08 -2039.044113 14.0839 BFGS: 1279 11:41:08 -2039.067508 13.9395 BFGS: 1280 11:41:09 -2039.079060 14.2370 BFGS: 1281 11:41:10 -2039.086414 14.4043 BFGS: 1282 11:41:10 -2039.091015 14.8157 BFGS: 1283 11:41:11 -2039.095017 14.8972 BFGS: 1284 11:41:11 -2039.098712 14.7925 BFGS: 1285 11:41:11 -2039.100304 14.7815 BFGS: 1286 11:41:12 -2039.101763 14.6636 BFGS: 1287 11:41:12 -2039.102425 14.6925 BFGS: 1288 11:41:13 -2039.102997 14.7275 BFGS: 1289 11:41:13 -2039.103296 14.7735 BFGS: 1290 11:41:14 -2039.103584 14.8537 BFGS: 1291 11:41:15 -2039.103734 14.8773 BFGS: 1292 11:41:16 -2039.103847 14.9039 BFGS: 1293 11:41:16 -2039.103906 14.8925 BFGS: 1294 11:41:17 -2039.103947 14.8876 BFGS: 1295 11:41:17 -2039.103969 14.8773 BFGS: 1296 11:41:18 -2039.103984 14.8730 BFGS: 1297 11:41:19 -2039.103992 14.8725 BFGS: 1298 11:41:19 -2039.103996 14.8731 BFGS: 1299 11:41:20 -2039.103998 14.8736 BFGS: 1300 11:41:20 -2039.103999 14.8734 BFGS: 1301 11:41:20 -2039.104000 14.8725 BFGS: 1302 11:41:21 -2039.104000 14.8704 BFGS: 1303 11:41:21 -2039.104000 14.8699 BFGS: 1304 11:41:22 -2039.104000 14.8693 BFGS: 1305 11:41:22 -2039.104000 14.8693 BFGS: 1306 11:41:23 -2039.104000 14.8694 BFGS: 1307 11:41:23 -2039.104000 14.8696 BFGS: 1308 11:41:23 -2039.104000 14.8697 BFGS: 1309 11:41:24 -2039.104000 14.8698 BFGS: 1310 11:41:24 -2039.104000 14.8698 BFGS: 1311 11:41:24 -2039.104000 14.8698 BFGS: 1312 11:41:25 -2039.104000 14.8698 BFGS: 1313 11:41:25 -2039.104000 14.8698 BFGS: 1314 11:41:26 -2039.104000 14.8697 BFGS: 1315 11:41:26 -2039.104000 14.8697 BFGS: 1316 11:41:26 -2039.104000 14.8697 BFGS: 1317 11:41:27 -2039.104000 14.8696 BFGS: 1318 11:41:28 -2039.104000 14.8695 BFGS: 1319 11:41:28 -2039.104000 14.8693 BFGS: 1320 11:41:29 -2039.104000 14.8691 BFGS: 1321 11:41:30 -2039.104001 14.8687 BFGS: 1322 11:41:30 -2039.104002 14.8680 BFGS: 1323 11:41:31 -2039.104005 14.8670 BFGS: 1324 11:41:31 -2039.104014 14.8654 BFGS: 1325 11:41:32 -2039.104036 14.8628 BFGS: 1326 11:41:32 -2039.104095 14.8585 BFGS: 1327 11:41:33 -2039.104248 14.8517 BFGS: 1328 11:41:33 -2039.104648 14.8408 BFGS: 1329 11:41:34 -2039.105697 14.8230 BFGS: 1330 11:41:35 -2039.108443 14.7942 BFGS: 1331 11:41:36 -2039.115625 14.7474 BFGS: 1332 11:41:36 -2039.134430 14.6707 BFGS: 1333 11:41:37 -2039.183428 14.5509 BFGS: 1334 11:41:37 -2039.308418 14.3283 BFGS: 1335 11:41:38 -2039.625903 13.8901 BFGS: 1336 11:41:38 -2040.349023 14.8054 BFGS: 1337 11:41:38 -2041.246476 14.8853 BFGS: 1338 11:41:39 -2041.669021 14.7781 BFGS: 1339 11:41:39 -2043.055075 13.2164 BFGS: 1340 11:41:40 -2043.533147 12.7318 BFGS: 1341 11:41:41 -2044.154204 11.8868 BFGS: 1342 11:41:41 -2044.673512 11.0535 BFGS: 1343 11:41:42 -2045.185206 10.2211 BFGS: 1344 11:41:42 -2045.635361 9.2235 BFGS: 1345 11:41:43 -2046.050008 8.5746 BFGS: 1346 11:41:43 -2046.425119 7.4573 BFGS: 1347 11:41:44 -2046.747182 6.9996 BFGS: 1348 11:41:45 -2047.043739 5.7841 BFGS: 1349 11:41:45 -2047.285833 4.9641 BFGS: 1350 11:41:45 -2047.501612 4.3166 BFGS: 1351 11:41:46 -2047.660281 3.5306 BFGS: 1352 11:41:46 -2047.803505 2.8547 BFGS: 1353 11:41:47 -2047.876358 2.1231 BFGS: 1354 11:41:47 -2047.931482 1.5271 BFGS: 1355 11:41:48 -2047.944255 1.4760 BFGS: 1356 11:41:49 -2047.949821 1.6273 BFGS: 1357 11:41:50 -2047.954912 1.4438 BFGS: 1358 11:41:50 -2047.957033 1.4566 BFGS: 1359 11:41:51 -2047.957303 1.4153 BFGS: 1360 11:41:52 -2047.957462 1.4301 BFGS: 1361 11:41:53 -2047.957525 1.4401 BFGS: 1362 11:41:53 -2047.957569 1.4574 BFGS: 1363 11:41:54 -2047.957581 1.4612 BFGS: 1364 11:41:55 -2047.957589 1.4639 BFGS: 1365 11:41:56 -2047.957594 1.4634 BFGS: 1366 11:41:57 -2047.957596 1.4631 BFGS: 1367 11:41:58 -2047.957597 1.4618 BFGS: 1368 11:41:59 -2047.957597 1.4613 BFGS: 1369 11:42:00 -2047.957597 1.4606 BFGS: 1370 11:42:00 -2047.957598 1.4603 BFGS: 1371 11:42:01 -2047.957598 1.4601 BFGS: 1372 11:42:01 -2047.957598 1.4600 BFGS: 1373 11:42:02 -2047.957598 1.4600 BFGS: 1374 11:42:02 -2047.957598 1.4600 BFGS: 1375 11:42:03 -2047.957598 1.4602 BFGS: 1376 11:42:03 -2047.957598 1.4604 BFGS: 1377 11:42:03 -2047.957598 1.4607 BFGS: 1378 11:42:03 -2047.957598 1.4613 BFGS: 1379 11:42:03 -2047.957599 1.4623 BFGS: 1380 11:42:03 -2047.957602 1.4638 BFGS: 1381 11:42:04 -2047.957608 1.4663 BFGS: 1382 11:42:04 -2047.957626 1.4701 BFGS: 1383 11:42:05 -2047.957671 1.4762 BFGS: 1384 11:42:05 -2047.957791 1.4857 BFGS: 1385 11:42:06 -2047.958102 1.4999 BFGS: 1386 11:42:07 -2047.958914 1.5205 BFGS: 1387 11:42:07 -2047.961015 1.5472 BFGS: 1388 11:42:08 -2047.966354 1.5729 BFGS: 1389 11:42:08 -2047.979334 1.5663 BFGS: 1390 11:42:08 -2048.005590 1.4680 BFGS: 1391 11:42:08 -2048.035972 1.4519 BFGS: 1392 11:42:09 -2048.069240 1.2739 BFGS: 1393 11:42:10 -2048.100518 0.8807 BFGS: 1394 11:42:10 -2048.118767 0.2577 BFGS: 1395 11:42:10 -2048.119778 0.0896 BFGS: 1396 11:42:11 -2048.119999 0.0072 BFGS: 1397 11:42:11 -2048.120001 0.0025 BFGS: 1398 11:42:12 -2048.120001 0.0013 BFGS: 1399 11:42:12 -2048.120001 0.0006 BFGS: 1400 11:42:13 -2048.120001 0.0001 BFGS: 1401 11:42:13 -2048.120001 0.0000 BFGS: 1402 11:42:14 -2048.120001 0.0000 BFGS: 1403 11:42:15 -2048.120001 0.0000 BFGS: 1404 11:42:15 -2048.120001 0.0000 BFGS: 1405 11:42:16 -2048.120001 0.0000 BFGS: 1406 11:42:16 -2048.120001 0.0000 BFGS: 1407 11:42:17 -2048.120001 0.0000 BFGS: 1408 11:42:18 -2048.120001 0.0000 BFGS: 1409 11:42:18 -2048.120001 0.0000 Minimization converged after 1409 steps. Maximum force component: 6.242332632354006e-09 eV/Angstrom Maximum stress component: 8.976455374669686e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.87124858 0.46038867 0.85141915] [0.12875142 0.96038867 0.64858085] [0.12875142 0.53961133 0.14858085] [0.87124858 0.03961133 0.35141915] [0.91739579 0.23229682 0.99527081] [0.08260421 0.73229682 0.50472919] [0.08260421 0.76770318 0.00472919] [0.91739579 0.26770318 0.49527081] [0.01986528 0.68566942 0.25709457] [0.98013472 0.18566942 0.24290543] [0.98013472 0.31433058 0.74290543] [0.01986528 0.81433058 0.75709457] [0.97678576 0.75121228 0.15233371] [0.02321424 0.25121228 0.34766629] [0.02321424 0.24878772 0.84766629] [0.97678576 0.74878772 0.65233371] [0.04151287 0.59500077 0.19325235] [0.95848713 0.09500077 0.30674765] [0.95848713 0.40499923 0.80674765] [0.04151287 0.90499923 0.69325235] [0.96154159 0.28880414 0.30304256] [0.03845841 0.78880414 0.19695744] [0.03845841 0.71119586 0.69695744] [0.96154159 0.21119586 0.80304256] [0.90067082 0.03267168 0.83708777] [0.09932918 0.53267168 0.66291223] [0.09932918 0.96732832 0.16291223] [0.90067082 0.46732832 0.33708777] [0.94875232 0.45814828 0.13988559] [0.05124768 0.95814828 0.36011441] [0.05124768 0.54185172 0.86011441] [0.94875232 0.04185172 0.63988559] [0.9922514 0.70310752 0.00362505] [0.0077486 0.20310752 0.49637495] [0.0077486 0.29689248 0.99637495] [0.9922514 0.79689248 0.50362505] [0.06962697 0.30284836 0.25673055] [0.93037303 0.80284836 0.24326945] [0.93037303 0.69715164 0.74326945] [0.06962697 0.19715164 0.75673055] [0.97330022 0.02594089 0.10902434] [0.02669978 0.52594089 0.39097566] [0.02669978 0.97405911 0.89097566] [0.97330022 0.47405911 0.60902434] [0.8717745 0.79484519 0.99418042] [0.1282255 0.29484519 0.50581958] [0.1282255 0.20515481 0.00581958] [0.8717745 0.70515481 0.49418042] [0.12289384 0.64959025 0.36553458] [0.87710616 0.14959025 0.13446542] [0.87710616 0.35040975 0.63446542] [0.12289384 0.85040975 0.86553458]] cellpar = Cell([[11.122516022158313, -4.471796509700571e-17, 2.411961913369256], [-3.257674758713987e-17, 3.2348796935740616, -8.674036147067187e-17], [-3.9452042026011673, -2.5875231395468163e-17, 4.270493486631714]]) forces = [[ 7.60060661e-10 2.32524531e-11 -3.87043309e-09] [-7.60060661e-10 2.32524531e-11 3.87043309e-09] [-7.60060661e-10 -2.32524531e-11 3.87043309e-09] [ 7.60060661e-10 -2.32524531e-11 -3.87043309e-09] [ 1.77532657e-10 -1.13558514e-09 1.11486511e-09] [-1.77532657e-10 -1.13558514e-09 -1.11486511e-09] [-1.77532657e-10 1.13558514e-09 -1.11486511e-09] [ 1.77532657e-10 1.13558514e-09 1.11486511e-09] [-1.15480681e-09 3.39767090e-09 3.94271618e-09] [ 1.15480681e-09 3.39767090e-09 -3.94271618e-09] [ 1.15480681e-09 -3.39767090e-09 -3.94271618e-09] [-1.15480681e-09 -3.39767090e-09 3.94271618e-09] [ 3.93292681e-10 9.27256666e-10 9.90952308e-10] [-3.93292681e-10 9.27256666e-10 -9.90952308e-10] [-3.93292681e-10 -9.27256666e-10 -9.90952308e-10] [ 3.93292681e-10 -9.27256666e-10 9.90952308e-10] [ 2.61369277e-10 9.46943314e-10 -5.84781171e-10] [-2.61369277e-10 9.46943314e-10 5.84781171e-10] [-2.61369277e-10 -9.46943314e-10 5.84781171e-10] [ 2.61369277e-10 -9.46943314e-10 -5.84781171e-10] [ 1.83295430e-09 1.50370434e-09 -1.81778953e-09] [-1.83295430e-09 1.50370434e-09 1.81778953e-09] [-1.83295430e-09 -1.50370434e-09 1.81778953e-09] [ 1.83295430e-09 -1.50370434e-09 -1.81778953e-09] [ 3.17518242e-10 -2.47011330e-09 -6.74604753e-10] [-3.17518242e-10 -2.47011330e-09 6.74604753e-10] [-3.17518242e-10 2.47011330e-09 6.74604753e-10] [ 3.17518242e-10 2.47011330e-09 -6.74604753e-10] [ 1.08702973e-09 -5.10578622e-09 3.68185511e-09] [-1.08702973e-09 -5.10578622e-09 -3.68185511e-09] [-1.08702973e-09 5.10578622e-09 -3.68185511e-09] [ 1.08702973e-09 5.10578622e-09 3.68185511e-09] [-2.81763620e-09 -2.18680909e-09 1.26772510e-11] [ 2.81763620e-09 -2.18680909e-09 -1.26772510e-11] [ 2.81763620e-09 2.18680909e-09 -1.26772510e-11] [-2.81763620e-09 2.18680909e-09 1.26772510e-11] [-5.74640405e-10 -6.24233263e-09 -8.96781048e-10] [ 5.74640405e-10 -6.24233263e-09 8.96781048e-10] [ 5.74640405e-10 6.24233263e-09 8.96781048e-10] [-5.74640405e-10 6.24233263e-09 -8.96781048e-10] [ 7.58437946e-11 2.52374713e-09 2.34173007e-09] [-7.58437946e-11 2.52374713e-09 -2.34173007e-09] [-7.58437946e-11 -2.52374713e-09 -2.34173007e-09] [ 7.58437946e-11 -2.52374713e-09 2.34173007e-09] [ 2.62694647e-10 1.13434887e-10 -3.45323422e-10] [-2.62694647e-10 1.13434887e-10 3.45323422e-10] [-2.62694647e-10 -1.13434887e-10 3.45323422e-10] [ 2.62694647e-10 -1.13434887e-10 -3.45323422e-10] [ 1.62434164e-09 6.40608671e-10 2.54018555e-10] [-1.62434164e-09 6.40608671e-10 -2.54018555e-10] [-1.62434164e-09 -6.40608671e-10 -2.54018555e-10] [ 1.62434164e-09 -6.40608671e-10 2.54018555e-10]] stress = [ 8.97645537e-11 7.69866121e-11 -4.95665357e-11 1.64805835e-26 -5.14829934e-11 7.73800170e-28] energy per atom = -39.38692309036699 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0