element(s): ['C', 'H', 'N', 'O'] AFLOW prototype label: A2B6CD_oP40_59_ef_ef2g_ab_e Parameter names: ['a', 'b/a', 'c/a', 'z1', 'z2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5', 'x6', 'z6', 'x7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['7.3236', '1.1585969', '0.75876618', '0.45848699', '0.99758986', '0.60556354', '0.84177668', '0.50165683', '0.95920311', '0.37720359', '0.33625509', '0.91681941', '0.84510349', '0.038525585', '0.9600742', '0.087236583', '0.64375762', '0.26673658', '0.12722079', '0.60733933', '0.72937696'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'H', 'H', 'H', 'H', 'N', 'N', 'O'] representative atom coordinates = [[0. 0.35556354 0.84177668] [0.66681941 0. 0.84510349] [0. 0.25165683 0.95920311] [0.78852559 0. 0.9600742 ] [0.83723658 0.39375762 0.26673658] [0.87722079 0.35733933 0.72937696] [0. 0. 0.45848699] [0. 0.5 0.99758986] [0. 0.12720359 0.33625509]] spacegroup = 59 cell = [[7.3236, 0, 0], [0, 8.4851, 0], [0, 0, 5.5569]] ========================================= Step Time Energy fmax BFGS: 0 11:36:11 -227.955717 58.8116 BFGS: 1 11:36:11 -236.889598 7.9466 BFGS: 2 11:36:11 -240.017046 8.6997 BFGS: 3 11:36:11 -238.466412 20.4037 BFGS: 4 11:36:12 -241.164794 2.8257 BFGS: 5 11:36:12 -238.790402 28.6034 BFGS: 6 11:36:12 -241.519383 3.7527 BFGS: 7 11:36:12 -236.372159 42.4748 BFGS: 8 11:36:12 -241.479083 6.3501 BFGS: 9 11:36:12 -235.135723 51.1663 BFGS: 10 11:36:13 -238.494999 18.7114 BFGS: 11 11:36:13 -240.800080 14.9455 BFGS: 12 11:36:13 -241.848413 6.9871 BFGS: 13 11:36:13 -242.779822 3.9891 BFGS: 14 11:36:13 -243.446452 4.7752 BFGS: 15 11:36:13 -244.453935 6.6617 BFGS: 16 11:36:13 -245.396885 9.3361 BFGS: 17 11:36:13 -246.229378 11.9157 BFGS: 18 11:36:13 -247.685765 14.1376 BFGS: 19 11:36:13 -250.832087 14.3746 BFGS: 20 11:36:13 -253.841783 12.6057 BFGS: 21 11:36:13 -255.776105 4.0462 BFGS: 22 11:36:14 -256.331831 13.1874 BFGS: 23 11:36:14 -256.943221 7.4360 BFGS: 24 11:36:14 -258.221707 8.2740 BFGS: 25 11:36:14 -259.474775 10.3837 BFGS: 26 11:36:14 -260.703457 11.5442 BFGS: 27 11:36:15 -261.923771 12.7863 BFGS: 28 11:36:15 -263.482678 14.3758 BFGS: 29 11:36:15 -265.718277 15.6597 BFGS: 30 11:36:15 -268.806245 16.7465 BFGS: 31 11:36:15 -272.810627 17.8207 BFGS: 32 11:36:16 -277.909988 19.0221 BFGS: 33 11:36:16 -284.202294 20.4046 BFGS: 34 11:36:16 -291.915711 21.9902 BFGS: 35 11:36:17 -301.118387 23.6279 BFGS: 36 11:36:17 -311.775805 24.8938 BFGS: 37 11:36:18 -323.312102 25.0162 BFGS: 38 11:36:18 -334.628185 23.3163 BFGS: 39 11:36:18 -345.864622 23.9085 BFGS: 40 11:36:18 -356.370098 27.5428 BFGS: 41 11:36:18 -366.543795 29.6897 BFGS: 42 11:36:18 -377.540785 39.4194 BFGS: 43 11:36:18 -387.845287 34.4271 BFGS: 44 11:36:18 -396.520226 31.7368 BFGS: 45 11:36:19 -412.750432 24.5061 BFGS: 46 11:36:19 -428.643756 28.7407 BFGS: 47 11:36:19 -444.638862 34.6029 BFGS: 48 11:36:19 -460.684965 39.5795 BFGS: 49 11:36:19 -469.612928 43.8915 BFGS: 50 11:36:19 -480.539279 45.1514 BFGS: 51 11:36:20 -487.678773 37.2309 BFGS: 52 11:36:20 -492.592931 33.8099 BFGS: 53 11:36:20 -495.897443 44.3620 BFGS: 54 11:36:21 -501.901818 42.7278 BFGS: 55 11:36:21 -507.012463 36.6508 BFGS: 56 11:36:21 -511.312447 33.8475 BFGS: 57 11:36:21 -515.453926 30.2133 BFGS: 58 11:36:22 -519.378809 27.5033 BFGS: 59 11:36:22 -523.229782 24.4257 BFGS: 60 11:36:22 -527.105654 24.3996 BFGS: 61 11:36:23 -530.593310 28.1171 BFGS: 62 11:36:23 -534.214517 33.7660 BFGS: 63 11:36:23 -537.911750 38.7389 BFGS: 64 11:36:24 -541.833903 41.2259 BFGS: 65 11:36:24 -546.016805 46.9056 BFGS: 66 11:36:25 -552.345325 55.1225 BFGS: 67 11:36:25 -556.026771 62.5660 BFGS: 68 11:36:25 -562.745644 59.8214 BFGS: 69 11:36:26 -568.690822 51.4189 BFGS: 70 11:36:26 -575.239626 37.8872 BFGS: 71 11:36:27 -581.319864 43.8547 BFGS: 72 11:36:27 -586.844650 16.6162 BFGS: 73 11:36:27 -588.660612 17.9522 BFGS: 74 11:36:28 -589.601963 9.3637 BFGS: 75 11:36:28 -589.973380 5.0888 BFGS: 76 11:36:28 -590.304635 3.9005 BFGS: 77 11:36:29 -590.459141 4.0098 BFGS: 78 11:36:29 -590.544792 3.4600 BFGS: 79 11:36:30 -590.823396 3.5496 BFGS: 80 11:36:30 -591.046119 3.7731 BFGS: 81 11:36:30 -591.273222 4.4860 BFGS: 82 11:36:30 -591.492061 4.7331 BFGS: 83 11:36:30 -591.680895 5.4508 BFGS: 84 11:36:30 -591.836172 6.0369 BFGS: 85 11:36:30 -591.992842 7.4463 BFGS: 86 11:36:30 -592.168977 8.6987 BFGS: 87 11:36:30 -592.348724 9.4069 BFGS: 88 11:36:30 -592.519122 9.7136 BFGS: 89 11:36:30 -592.682575 9.8584 BFGS: 90 11:36:30 -592.842887 9.8414 BFGS: 91 11:36:30 -593.001566 9.7320 BFGS: 92 11:36:30 -593.159420 9.5625 BFGS: 93 11:36:30 -593.317057 9.3526 BFGS: 94 11:36:30 -593.476373 9.1104 BFGS: 95 11:36:30 -593.633361 8.9095 BFGS: 96 11:36:30 -593.791725 8.6286 BFGS: 97 11:36:30 -593.950831 8.3237 BFGS: 98 11:36:30 -594.110522 7.9992 BFGS: 99 11:36:30 -594.270690 7.6579 BFGS: 100 11:36:31 -594.431260 7.3017 BFGS: 101 11:36:31 -594.592165 6.9565 BFGS: 102 11:36:31 -594.753340 6.8764 BFGS: 103 11:36:31 -594.914888 6.7869 BFGS: 104 11:36:31 -595.076369 6.6895 BFGS: 105 11:36:31 -595.237989 6.5838 BFGS: 106 11:36:31 -595.399626 6.5814 BFGS: 107 11:36:31 -595.561193 6.6766 BFGS: 108 11:36:31 -595.722605 6.7649 BFGS: 109 11:36:31 -595.884100 6.8465 BFGS: 110 11:36:31 -596.043676 6.9428 BFGS: 111 11:36:31 -596.203849 7.0070 BFGS: 112 11:36:31 -596.363744 7.0717 BFGS: 113 11:36:31 -596.523545 7.1303 BFGS: 114 11:36:31 -596.682178 7.1867 BFGS: 115 11:36:31 -596.840510 7.2348 BFGS: 116 11:36:31 -596.998167 7.2789 BFGS: 117 11:36:31 -597.155054 7.3184 BFGS: 118 11:36:31 -597.311067 7.3536 BFGS: 119 11:36:31 -597.466127 7.3846 BFGS: 120 11:36:31 -597.620376 7.4119 BFGS: 121 11:36:31 -597.772136 7.4509 BFGS: 122 11:36:32 -597.923930 7.4682 BFGS: 123 11:36:32 -598.074630 7.4857 BFGS: 124 11:36:32 -598.224217 7.4995 BFGS: 125 11:36:32 -598.372817 7.5102 BFGS: 126 11:36:32 -598.519412 7.5240 BFGS: 127 11:36:32 -598.665315 7.5282 BFGS: 128 11:36:32 -598.809984 7.5311 BFGS: 129 11:36:32 -598.953409 7.5316 BFGS: 130 11:36:32 -599.095568 7.5298 BFGS: 131 11:36:32 -599.236465 7.5259 BFGS: 132 11:36:32 -599.376117 7.5201 BFGS: 133 11:36:33 -599.514739 7.5126 BFGS: 134 11:36:33 -599.650677 7.5104 BFGS: 135 11:36:33 -599.786674 7.7706 BFGS: 136 11:36:34 -599.921731 8.1803 BFGS: 137 11:36:34 -600.055903 8.5854 BFGS: 138 11:36:35 -600.189218 8.9866 BFGS: 139 11:36:35 -600.321733 9.3828 BFGS: 140 11:36:35 -600.453524 9.7744 BFGS: 141 11:36:36 -600.584676 10.1609 BFGS: 142 11:36:36 -600.715280 10.5423 BFGS: 143 11:36:36 -600.845635 10.9185 BFGS: 144 11:36:36 -600.975082 11.2876 BFGS: 145 11:36:37 -601.104559 11.6548 BFGS: 146 11:36:37 -601.233962 12.0155 BFGS: 147 11:36:37 -601.363377 12.3707 BFGS: 148 11:36:38 -601.492889 12.7204 BFGS: 149 11:36:38 -601.622634 13.0648 BFGS: 150 11:36:38 -601.752692 13.3976 BFGS: 151 11:36:39 -601.883043 13.7329 BFGS: 152 11:36:39 -602.013850 14.0617 BFGS: 153 11:36:39 -602.145216 14.3856 BFGS: 154 11:36:40 -602.277228 14.7044 BFGS: 155 11:36:40 -602.409965 15.0184 BFGS: 156 11:36:40 -602.543497 15.3276 BFGS: 157 11:36:41 -602.677887 15.6322 BFGS: 158 11:36:41 -602.813192 15.9325 BFGS: 159 11:36:41 -602.949461 16.2287 BFGS: 160 11:36:42 -603.086737 16.5210 BFGS: 161 11:36:42 -603.225054 16.8095 BFGS: 162 11:36:42 -603.364596 17.0975 BFGS: 163 11:36:43 -603.504257 17.3772 BFGS: 164 11:36:43 -603.645562 17.6582 BFGS: 165 11:36:43 -603.787975 17.9352 BFGS: 166 11:36:43 -603.931564 18.2103 BFGS: 167 11:36:44 -604.076274 18.4834 BFGS: 168 11:36:44 -604.222093 18.7549 BFGS: 169 11:36:44 -604.368995 19.0248 BFGS: 170 11:36:44 -604.516954 19.2933 BFGS: 171 11:36:45 -604.665940 19.5608 BFGS: 172 11:36:45 -604.815917 19.8273 BFGS: 173 11:36:45 -604.966847 20.0931 BFGS: 174 11:36:45 -605.118685 20.3585 BFGS: 175 11:36:46 -605.271384 20.6234 BFGS: 176 11:36:46 -605.424894 20.8882 BFGS: 177 11:36:46 -605.579160 21.1528 BFGS: 178 11:36:47 -605.734124 21.4175 BFGS: 179 11:36:47 -605.889950 21.6824 BFGS: 180 11:36:47 -606.046849 21.9540 BFGS: 181 11:36:48 -606.204110 22.2208 BFGS: 182 11:36:48 -606.361756 22.4873 BFGS: 183 11:36:49 -606.519505 22.7516 BFGS: 184 11:36:49 -606.680359 23.0862 BFGS: 185 11:36:49 -606.840311 23.3921 BFGS: 186 11:36:49 -607.000237 23.6847 BFGS: 187 11:36:50 -607.160724 23.9736 BFGS: 188 11:36:50 -607.322050 24.2626 BFGS: 189 11:36:50 -607.484387 24.5527 BFGS: 190 11:36:50 -607.647867 24.8442 BFGS: 191 11:36:50 -607.812609 25.1369 BFGS: 192 11:36:51 -607.978728 25.4306 BFGS: 193 11:36:51 -608.146340 25.7252 BFGS: 194 11:36:51 -608.315562 26.0203 BFGS: 195 11:36:51 -608.486513 26.3159 BFGS: 196 11:36:51 -608.659315 26.6116 BFGS: 197 11:36:52 -608.834093 26.9074 BFGS: 198 11:36:52 -609.010975 27.2029 BFGS: 199 11:36:52 -609.190282 27.4980 BFGS: 200 11:36:52 -609.372565 27.7904 BFGS: 201 11:36:52 -609.557260 28.0831 BFGS: 202 11:36:53 -609.744549 28.3757 BFGS: 203 11:36:53 -609.935093 28.6656 BFGS: 204 11:36:53 -610.128279 28.9591 BFGS: 205 11:36:54 -610.324477 29.2483 BFGS: 206 11:36:54 -610.523850 29.5357 BFGS: 207 11:36:54 -610.726558 29.8206 BFGS: 208 11:36:55 -610.932759 30.1035 BFGS: 209 11:36:55 -611.142609 30.3842 BFGS: 210 11:36:55 -611.356265 30.6625 BFGS: 211 11:36:56 -611.573968 30.9383 BFGS: 212 11:36:56 -611.796811 31.2156 BFGS: 213 11:36:57 -612.024338 31.4843 BFGS: 214 11:36:57 -612.256456 31.7485 BFGS: 215 11:36:57 -612.494209 32.0181 BFGS: 216 11:36:57 -612.736449 32.2816 BFGS: 217 11:36:58 -612.983488 32.5395 BFGS: 218 11:36:58 -613.235550 32.7941 BFGS: 219 11:36:59 -613.492808 33.0451 BFGS: 220 11:36:59 -613.755429 33.2930 BFGS: 221 11:36:59 -614.023566 33.5374 BFGS: 222 11:36:59 -614.297373 33.7785 BFGS: 223 11:36:59 -614.576995 34.0161 BFGS: 224 11:36:59 -614.862573 34.2503 BFGS: 225 11:36:59 -615.154247 34.4811 BFGS: 226 11:37:00 -615.452149 34.7084 BFGS: 227 11:37:00 -615.756410 34.9323 BFGS: 228 11:37:00 -616.067155 35.1527 BFGS: 229 11:37:00 -616.384505 35.3697 BFGS: 230 11:37:01 -616.708577 35.5833 BFGS: 231 11:37:01 -617.039697 35.7936 BFGS: 232 11:37:01 -617.379533 35.9959 BFGS: 233 11:37:01 -617.726185 36.1986 BFGS: 234 11:37:02 -618.079946 36.3991 BFGS: 235 11:37:02 -618.440940 36.5962 BFGS: 236 11:37:02 -618.809286 36.7903 BFGS: 237 11:37:02 -619.185088 36.9815 BFGS: 238 11:37:03 -619.568450 37.1699 BFGS: 239 11:37:03 -619.959843 37.3557 BFGS: 240 11:37:03 -620.359947 37.5376 BFGS: 241 11:37:03 -620.768224 37.7193 BFGS: 242 11:37:03 -621.184930 37.8998 BFGS: 243 11:37:03 -621.609802 38.0769 BFGS: 244 11:37:03 -622.042967 38.2510 BFGS: 245 11:37:03 -622.484583 38.4234 BFGS: 246 11:37:03 -622.934835 38.5940 BFGS: 247 11:37:03 -623.393925 38.7632 BFGS: 248 11:37:03 -623.862087 38.9310 BFGS: 249 11:37:03 -624.339585 39.0976 BFGS: 250 11:37:03 -624.826725 39.2631 BFGS: 251 11:37:04 -625.323855 39.4276 BFGS: 252 11:37:04 -625.831371 39.5912 BFGS: 253 11:37:04 -626.349726 39.7538 BFGS: 254 11:37:04 -626.879429 39.9156 BFGS: 255 11:37:04 -627.421054 40.0765 BFGS: 256 11:37:04 -627.975242 40.2363 BFGS: 257 11:37:04 -628.542700 40.3949 BFGS: 258 11:37:05 -629.124209 40.5521 BFGS: 259 11:37:05 -629.720618 40.7077 BFGS: 260 11:37:05 -630.332847 40.8612 BFGS: 261 11:37:05 -630.961885 41.0124 BFGS: 262 11:37:05 -631.608784 41.1608 BFGS: 263 11:37:05 -632.274660 41.3062 BFGS: 264 11:37:05 -632.960701 41.4479 BFGS: 265 11:37:05 -633.669241 41.5868 BFGS: 266 11:37:05 -634.400570 41.7188 BFGS: 267 11:37:06 -635.156035 41.8458 BFGS: 268 11:37:06 -635.938355 41.9691 BFGS: 269 11:37:06 -636.749144 42.0861 BFGS: 270 11:37:07 -637.587519 42.1976 BFGS: 271 11:37:07 -638.455686 42.3002 BFGS: 272 11:37:07 -639.356060 42.4150 BFGS: 273 11:37:07 -640.288615 42.4965 BFGS: 274 11:37:08 -641.256174 42.5747 BFGS: 275 11:37:08 -642.260145 42.6444 BFGS: 276 11:37:08 -643.301430 42.7039 BFGS: 277 11:37:09 -644.381136 42.7533 BFGS: 278 11:37:09 -645.500812 42.7909 BFGS: 279 11:37:09 -646.663099 42.8153 BFGS: 280 11:37:09 -647.867917 42.8246 BFGS: 281 11:37:09 -649.116339 42.8185 BFGS: 282 11:37:10 -650.409237 42.7946 BFGS: 283 11:37:10 -651.747456 42.7511 BFGS: 284 11:37:10 -653.131500 42.6857 BFGS: 285 11:37:11 -654.561629 42.5959 BFGS: 286 11:37:11 -656.037717 42.4790 BFGS: 287 11:37:11 -657.559210 42.3323 BFGS: 288 11:37:11 -659.125008 42.1527 BFGS: 289 11:37:12 -660.733365 41.9370 BFGS: 290 11:37:12 -662.381752 41.6819 BFGS: 291 11:37:12 -664.066713 41.3841 BFGS: 292 11:37:12 -665.783683 41.0403 BFGS: 293 11:37:13 -667.526805 40.6474 BFGS: 294 11:37:13 -669.288874 40.2027 BFGS: 295 11:37:13 -671.062979 39.7061 BFGS: 296 11:37:13 -672.839582 39.1563 BFGS: 297 11:37:13 -674.618533 38.5653 BFGS: 298 11:37:13 -676.371506 37.9166 BFGS: 299 11:37:13 -678.131604 37.2653 BFGS: 300 11:37:13 -679.875081 36.5654 BFGS: 301 11:37:13 -681.607261 35.8272 BFGS: 302 11:37:14 -683.328327 35.0511 BFGS: 303 11:37:14 -685.040963 34.2401 BFGS: 304 11:37:14 -686.744984 33.3951 BFGS: 305 11:37:14 -688.439270 32.5179 BFGS: 306 11:37:15 -690.120614 31.6099 BFGS: 307 11:37:15 -691.784055 30.6707 BFGS: 308 11:37:16 -693.421349 29.7033 BFGS: 309 11:37:16 -695.024240 28.7078 BFGS: 310 11:37:16 -696.581173 27.6816 BFGS: 311 11:37:17 -698.083102 26.6319 BFGS: 312 11:37:17 -699.517424 25.5497 BFGS: 313 11:37:17 -700.878800 24.4492 BFGS: 314 11:37:18 -702.158851 23.3166 BFGS: 315 11:37:18 -703.359496 22.1891 BFGS: 316 11:37:18 -704.475914 21.0129 BFGS: 317 11:37:18 -705.518320 19.8720 BFGS: 318 11:37:18 -706.478939 18.6706 BFGS: 319 11:37:18 -707.379985 17.5896 BFGS: 320 11:37:18 -708.198228 16.3202 BFGS: 321 11:37:18 -708.983463 15.4406 BFGS: 322 11:37:19 -709.672530 13.9940 BFGS: 323 11:37:19 -710.352204 13.2588 BFGS: 324 11:37:19 -710.951101 11.9792 BFGS: 325 11:37:19 -711.521607 11.0431 BFGS: 326 11:37:19 -712.043039 9.9309 BFGS: 327 11:37:19 -712.531614 8.9748 BFGS: 328 11:37:19 -712.983323 8.4510 BFGS: 329 11:37:20 -713.404945 8.1186 BFGS: 330 11:37:20 -713.796659 8.4296 BFGS: 331 11:37:20 -714.162537 8.7214 BFGS: 332 11:37:20 -714.504156 8.9983 BFGS: 333 11:37:21 -714.825098 9.2407 BFGS: 334 11:37:21 -715.127558 9.4497 BFGS: 335 11:37:21 -715.415361 9.6065 BFGS: 336 11:37:22 -715.690983 9.7118 BFGS: 337 11:37:22 -715.958605 9.7422 BFGS: 338 11:37:23 -716.220398 9.7012 BFGS: 339 11:37:23 -716.480690 9.5524 BFGS: 340 11:37:23 -716.740362 9.3075 BFGS: 341 11:37:23 -717.003602 8.9027 BFGS: 342 11:37:24 -717.268617 8.3661 BFGS: 343 11:37:24 -717.539017 7.5755 BFGS: 344 11:37:24 -717.808569 6.5696 BFGS: 345 11:37:25 -718.080678 5.6706 BFGS: 346 11:37:25 -718.312833 4.6302 BFGS: 347 11:37:25 -718.476374 4.5415 BFGS: 348 11:37:25 -718.676285 3.8695 BFGS: 349 11:37:26 -718.810141 2.9365 BFGS: 350 11:37:26 -718.905678 2.2399 BFGS: 351 11:37:26 -718.946782 1.7359 BFGS: 352 11:37:26 -718.978912 2.2260 BFGS: 353 11:37:27 -719.010680 3.3811 BFGS: 354 11:37:27 -719.022114 4.0388 BFGS: 355 11:37:27 -719.025941 3.9930 BFGS: 356 11:37:28 -719.029003 3.8489 BFGS: 357 11:37:28 -719.033337 3.6206 BFGS: 358 11:37:28 -719.049022 2.3850 BFGS: 359 11:37:28 -719.064000 1.8632 BFGS: 360 11:37:29 -719.094322 1.1900 BFGS: 361 11:37:29 -719.113247 0.8921 BFGS: 362 11:37:29 -719.123858 0.3313 BFGS: 363 11:37:29 -719.126793 0.2286 BFGS: 364 11:37:29 -719.127402 0.2109 BFGS: 365 11:37:29 -719.127568 0.1651 BFGS: 366 11:37:29 -719.127695 0.1386 BFGS: 367 11:37:29 -719.127809 0.1392 BFGS: 368 11:37:29 -719.128254 0.2053 BFGS: 369 11:37:29 -719.128635 0.2435 BFGS: 370 11:37:29 -719.130502 0.4140 BFGS: 371 11:37:29 -719.133512 0.5755 BFGS: 372 11:37:29 -719.136922 0.6838 BFGS: 373 11:37:29 -719.140694 0.7672 BFGS: 374 11:37:29 -719.144726 0.8376 BFGS: 375 11:37:29 -719.148937 0.9008 BFGS: 376 11:37:29 -719.153262 0.9605 BFGS: 377 11:37:29 -719.157639 1.0192 BFGS: 378 11:37:30 -719.161998 1.0799 BFGS: 379 11:37:30 -719.166369 1.1402 BFGS: 380 11:37:30 -719.170887 1.1986 BFGS: 381 11:37:30 -719.175332 1.2607 BFGS: 382 11:37:30 -719.179876 1.3190 BFGS: 383 11:37:30 -719.184227 1.3880 BFGS: 384 11:37:30 -719.188298 1.4604 BFGS: 385 11:37:30 -719.192054 1.5339 BFGS: 386 11:37:30 -719.195637 1.6008 BFGS: 387 11:37:30 -719.199237 1.6627 BFGS: 388 11:37:30 -719.202944 1.7288 BFGS: 389 11:37:30 -719.207315 1.7807 BFGS: 390 11:37:30 -719.212364 1.8166 BFGS: 391 11:37:30 -719.216998 1.8911 BFGS: 392 11:37:30 -719.225238 1.8381 BFGS: 393 11:37:30 -719.082839 8.0164 BFGS: 394 11:37:30 -719.238756 1.3039 BFGS: 395 11:37:30 -719.261261 1.0159 BFGS: 396 11:37:30 -719.262414 2.9538 BFGS: 397 11:37:31 -719.256417 1.4094 BFGS: 398 11:37:31 -719.300015 0.4111 BFGS: 399 11:37:31 -719.301317 0.1873 BFGS: 400 11:37:31 -719.301571 0.1700 BFGS: 401 11:37:31 -719.301656 0.1704 BFGS: 402 11:37:31 -719.301702 0.1707 BFGS: 403 11:37:31 -719.301921 0.1694 BFGS: 404 11:37:31 -719.302142 0.2262 BFGS: 405 11:37:31 -719.303024 0.3812 BFGS: 406 11:37:31 -719.305015 0.5947 BFGS: 407 11:37:31 -719.310802 1.0172 BFGS: 408 11:37:31 -719.322850 1.5120 BFGS: 409 11:37:31 -719.336991 1.8401 BFGS: 410 11:37:31 -719.352940 2.0874 BFGS: 411 11:37:31 -719.370150 2.2921 BFGS: 412 11:37:31 -719.388212 2.4733 BFGS: 413 11:37:31 -719.406818 2.6418 BFGS: 414 11:37:31 -719.426267 2.8002 BFGS: 415 11:37:31 -719.447811 2.9561 BFGS: 416 11:37:32 -719.469985 3.1012 BFGS: 417 11:37:32 -719.492684 3.2390 BFGS: 418 11:37:32 -719.516755 3.3712 BFGS: 419 11:37:32 -719.543585 3.4852 BFGS: 420 11:37:32 -719.571032 3.5945 BFGS: 421 11:37:32 -719.599256 3.6985 BFGS: 422 11:37:32 -719.628293 3.7967 BFGS: 423 11:37:32 -719.658175 3.8891 BFGS: 424 11:37:32 -719.689672 3.9761 BFGS: 425 11:37:32 -719.724071 4.0438 BFGS: 426 11:37:32 -719.759962 4.1133 BFGS: 427 11:37:32 -719.796692 4.1733 BFGS: 428 11:37:32 -719.834321 4.2291 BFGS: 429 11:37:32 -719.872851 4.2806 BFGS: 430 11:37:32 -719.912278 4.3279 BFGS: 431 11:37:32 -719.952598 4.3712 BFGS: 432 11:37:32 -719.995339 4.4075 BFGS: 433 11:37:32 -720.039186 4.4395 BFGS: 434 11:37:32 -720.083831 4.4669 BFGS: 435 11:37:32 -720.129477 4.4914 BFGS: 436 11:37:33 -720.176566 4.5101 BFGS: 437 11:37:33 -720.224586 4.5276 BFGS: 438 11:37:33 -720.274083 4.5416 BFGS: 439 11:37:33 -720.324314 4.5513 BFGS: 440 11:37:33 -720.375376 4.5593 BFGS: 441 11:37:33 -720.427826 4.5629 BFGS: 442 11:37:33 -720.480799 4.5651 BFGS: 443 11:37:33 -720.534345 4.5660 BFGS: 444 11:37:33 -720.588439 4.5656 BFGS: 445 11:37:33 -720.643205 4.5693 BFGS: 446 11:37:33 -720.698879 4.5634 BFGS: 447 11:37:33 -720.754871 4.5573 BFGS: 448 11:37:33 -720.811249 4.5516 BFGS: 449 11:37:33 -720.867986 4.5451 BFGS: 450 11:37:33 -720.925049 4.5382 BFGS: 451 11:37:33 -720.982399 4.5306 BFGS: 452 11:37:33 -721.040194 4.5206 BFGS: 453 11:37:33 -721.098337 4.5129 BFGS: 454 11:37:34 -721.156710 4.5046 BFGS: 455 11:37:34 -721.215207 4.4953 BFGS: 456 11:37:34 -721.273771 4.4860 BFGS: 457 11:37:34 -721.333314 4.4768 BFGS: 458 11:37:34 -721.393177 4.4646 BFGS: 459 11:37:34 -721.452975 4.4535 BFGS: 460 11:37:34 -721.512668 4.4423 BFGS: 461 11:37:34 -721.572606 4.4312 BFGS: 462 11:37:34 -721.633618 4.4179 BFGS: 463 11:37:34 -721.694371 4.4028 BFGS: 464 11:37:34 -721.754881 4.3890 BFGS: 465 11:37:34 -721.815102 4.3747 BFGS: 466 11:37:34 -721.874992 4.3601 BFGS: 467 11:37:34 -721.934508 4.3451 BFGS: 468 11:37:34 -721.993604 4.3295 BFGS: 469 11:37:35 -722.052818 4.3181 BFGS: 470 11:37:35 -722.112303 4.3002 BFGS: 471 11:37:35 -722.171212 4.2807 BFGS: 472 11:37:35 -722.229504 4.2612 BFGS: 473 11:37:35 -722.287134 4.2407 BFGS: 474 11:37:35 -722.344428 4.2190 BFGS: 475 11:37:35 -722.401140 4.1957 BFGS: 476 11:37:35 -722.456999 4.1728 BFGS: 477 11:37:35 -722.512774 4.1485 BFGS: 478 11:37:35 -722.567748 4.1208 BFGS: 479 11:37:35 -722.621764 4.0965 BFGS: 480 11:37:35 -722.674784 4.0693 BFGS: 481 11:37:35 -722.726761 4.0404 BFGS: 482 11:37:36 -722.777645 4.0092 BFGS: 483 11:37:36 -722.827384 3.9758 BFGS: 484 11:37:36 -722.875931 3.9400 BFGS: 485 11:37:36 -722.923235 3.9016 BFGS: 486 11:37:36 -722.969383 3.8607 BFGS: 487 11:37:36 -723.014596 3.8198 BFGS: 488 11:37:36 -723.058641 3.7737 BFGS: 489 11:37:36 -723.101255 3.7265 BFGS: 490 11:37:36 -723.142407 3.6760 BFGS: 491 11:37:36 -723.182060 3.6220 BFGS: 492 11:37:36 -723.220176 3.5643 BFGS: 493 11:37:36 -723.256721 3.5027 BFGS: 494 11:37:36 -723.291660 3.4370 BFGS: 495 11:37:36 -723.324965 3.3669 BFGS: 496 11:37:36 -723.356607 3.2923 BFGS: 497 11:37:36 -723.386562 3.2128 BFGS: 498 11:37:36 -723.414806 3.1280 BFGS: 499 11:37:37 -723.441321 3.0378 BFGS: 500 11:37:37 -723.466265 2.9357 BFGS: 501 11:37:37 -723.489441 2.8370 BFGS: 502 11:37:37 -723.510834 2.7290 BFGS: 503 11:37:37 -723.530454 2.6136 BFGS: 504 11:37:37 -723.548298 2.4903 BFGS: 505 11:37:37 -723.564368 2.3580 BFGS: 506 11:37:37 -723.578666 2.2157 BFGS: 507 11:37:37 -723.591205 2.0617 BFGS: 508 11:37:37 -723.602004 1.8940 BFGS: 509 11:37:37 -723.611097 1.7094 BFGS: 510 11:37:37 -723.618546 1.5025 BFGS: 511 11:37:37 -723.624472 1.2631 BFGS: 512 11:37:37 -723.629238 1.0631 BFGS: 513 11:37:37 -723.632868 1.0699 BFGS: 514 11:37:37 -723.636147 1.0769 BFGS: 515 11:37:37 -723.648295 1.0966 BFGS: 516 11:37:37 -723.653469 1.0910 BFGS: 517 11:37:37 -723.657282 1.0797 BFGS: 518 11:37:38 -723.659768 1.0679 BFGS: 519 11:37:38 -723.660871 1.0641 BFGS: 520 11:37:38 -723.661377 1.0642 BFGS: 521 11:37:38 -723.661576 1.0644 BFGS: 522 11:37:38 -723.661915 1.0667 BFGS: 523 11:37:38 -723.662144 1.0670 BFGS: 524 11:37:38 -723.663437 1.0698 BFGS: 525 11:37:38 -723.666114 1.0731 BFGS: 526 11:37:38 -723.673836 1.2405 BFGS: 527 11:37:38 -723.693421 1.7937 BFGS: 528 11:37:38 -723.747343 2.7200 BFGS: 529 11:37:38 -723.832544 3.6093 BFGS: 530 11:37:38 -723.900654 4.0666 BFGS: 531 11:37:38 -723.961977 4.3663 BFGS: 532 11:37:38 -724.021382 4.6053 BFGS: 533 11:37:38 -724.080124 4.8167 BFGS: 534 11:37:38 -724.138907 5.0177 BFGS: 535 11:37:38 -724.201861 5.1916 BFGS: 536 11:37:38 -724.262120 5.3678 BFGS: 537 11:37:39 -724.324728 5.5213 BFGS: 538 11:37:39 -724.386070 5.6732 BFGS: 539 11:37:39 -724.452010 5.7905 BFGS: 540 11:37:39 -724.516755 5.9111 BFGS: 541 11:37:40 -724.583625 6.0115 BFGS: 542 11:37:40 -724.652424 6.0978 BFGS: 543 11:37:40 -724.723247 6.1701 BFGS: 544 11:37:41 -724.796565 6.2241 BFGS: 545 11:37:41 -724.877453 6.2479 BFGS: 546 11:37:41 -724.956416 6.2827 BFGS: 547 11:37:41 -725.041242 6.2834 BFGS: 548 11:37:41 -725.124523 6.2951 BFGS: 549 11:37:42 -725.208500 6.2997 BFGS: 550 11:37:42 -725.293939 6.2969 BFGS: 551 11:37:42 -725.380905 6.2876 BFGS: 552 11:37:42 -725.469354 6.2727 BFGS: 553 11:37:42 -725.559238 6.2526 BFGS: 554 11:37:42 -725.650512 6.2280 BFGS: 555 11:37:42 -725.743139 6.1992 BFGS: 556 11:37:42 -725.837089 6.1666 BFGS: 557 11:37:42 -725.932337 6.1306 BFGS: 558 11:37:42 -726.028860 6.0914 BFGS: 559 11:37:42 -726.126644 6.0495 BFGS: 560 11:37:43 -726.225675 6.0050 BFGS: 561 11:37:43 -726.326017 5.9581 BFGS: 562 11:37:43 -726.438385 5.8578 BFGS: 563 11:37:44 -726.567797 5.6658 BFGS: 564 11:37:44 -726.672216 5.6253 BFGS: 565 11:37:44 -726.778712 5.5657 BFGS: 566 11:37:44 -726.881616 5.5225 BFGS: 567 11:37:45 -726.985676 5.4761 BFGS: 568 11:37:45 -727.091105 5.4304 BFGS: 569 11:37:45 -727.199552 5.3733 BFGS: 570 11:37:46 -727.307772 5.3219 BFGS: 571 11:37:46 -727.417521 5.2693 BFGS: 572 11:37:46 -727.529688 5.2110 BFGS: 573 11:37:47 -727.642194 5.1557 BFGS: 574 11:37:47 -727.755978 5.0996 BFGS: 575 11:37:48 -727.871082 5.0430 BFGS: 576 11:37:48 -727.987621 4.9899 BFGS: 577 11:37:49 -728.105910 4.9304 BFGS: 578 11:37:49 -728.225554 4.8713 BFGS: 579 11:37:49 -728.346746 4.8096 BFGS: 580 11:37:50 -728.469227 4.7510 BFGS: 581 11:37:50 -728.593121 4.6913 BFGS: 582 11:37:50 -728.718467 4.6317 BFGS: 583 11:37:51 -728.845296 4.5720 BFGS: 584 11:37:51 -728.973636 4.5123 BFGS: 585 11:37:51 -729.103524 4.4526 BFGS: 586 11:37:52 -729.235070 4.3926 BFGS: 587 11:37:52 -729.368154 4.3328 BFGS: 588 11:37:52 -729.502864 4.2728 BFGS: 589 11:37:53 -729.639239 4.2128 BFGS: 590 11:37:53 -729.777317 4.1527 BFGS: 591 11:37:53 -729.917137 4.0926 BFGS: 592 11:37:53 -730.059185 4.0324 BFGS: 593 11:37:54 -730.203718 3.9688 BFGS: 594 11:37:54 -730.349713 3.9075 BFGS: 595 11:37:54 -730.497523 3.8416 BFGS: 596 11:37:54 -730.647332 3.7813 BFGS: 597 11:37:54 -730.799181 3.7200 BFGS: 598 11:37:55 -730.953113 3.6585 BFGS: 599 11:37:55 -731.109186 3.5967 BFGS: 600 11:37:55 -731.267549 3.5346 BFGS: 601 11:37:56 -731.426629 3.4799 BFGS: 602 11:37:56 -731.590262 3.4164 BFGS: 603 11:37:56 -731.755910 3.3542 BFGS: 604 11:37:56 -731.924477 3.2900 BFGS: 605 11:37:56 -732.095829 3.2244 BFGS: 606 11:37:56 -732.270016 3.1968 BFGS: 607 11:37:57 -732.447158 3.2420 BFGS: 608 11:37:57 -732.627417 3.2884 BFGS: 609 11:37:57 -732.811000 3.3360 BFGS: 610 11:37:58 -732.998172 3.3849 BFGS: 611 11:37:58 -733.189740 3.4345 BFGS: 612 11:37:58 -733.385457 3.4863 BFGS: 613 11:37:59 -733.586244 3.5483 BFGS: 614 11:37:59 -733.793207 3.6026 BFGS: 615 11:37:59 -734.006900 3.6534 BFGS: 616 11:37:59 -734.220284 3.7080 BFGS: 617 11:38:00 -734.433627 3.7623 BFGS: 618 11:38:00 -734.647032 3.8149 BFGS: 619 11:38:01 -734.860572 3.8684 BFGS: 620 11:38:01 -735.076547 3.9290 BFGS: 621 11:38:02 -735.309744 4.0223 BFGS: 622 11:38:02 -735.584782 4.1687 BFGS: 623 11:38:03 -735.902635 4.3296 BFGS: 624 11:38:03 -736.232941 4.4728 BFGS: 625 11:38:03 -736.588867 4.6112 BFGS: 626 11:38:04 -736.974629 4.7510 BFGS: 627 11:38:04 -737.395971 4.8976 BFGS: 628 11:38:04 -737.858090 5.0552 BFGS: 629 11:38:05 -738.366729 5.2341 BFGS: 630 11:38:05 -738.927802 5.4168 BFGS: 631 11:38:06 -739.540324 5.6306 BFGS: 632 11:38:06 -740.216769 5.8650 BFGS: 633 11:38:06 -740.936173 6.1314 BFGS: 634 11:38:06 -741.693217 6.3968 BFGS: 635 11:38:06 -742.476906 6.6772 BFGS: 636 11:38:06 -743.270768 6.9491 BFGS: 637 11:38:06 -744.064751 7.2218 BFGS: 638 11:38:06 -744.852111 7.4854 BFGS: 639 11:38:06 -745.629366 7.7449 BFGS: 640 11:38:06 -746.399653 7.9910 BFGS: 641 11:38:06 -747.166257 8.2216 BFGS: 642 11:38:06 -747.928461 8.4396 BFGS: 643 11:38:06 -748.689464 8.6512 BFGS: 644 11:38:06 -749.451880 8.8471 BFGS: 645 11:38:07 -750.214147 9.0287 BFGS: 646 11:38:07 -750.976376 9.1967 BFGS: 647 11:38:07 -751.747815 9.3540 BFGS: 648 11:38:07 -752.574905 9.5149 BFGS: 649 11:38:07 -753.569289 9.7273 BFGS: 650 11:38:07 -754.443946 9.8401 BFGS: 651 11:38:07 -755.362321 9.9270 BFGS: 652 11:38:07 -756.236706 9.9737 BFGS: 653 11:38:07 -757.006969 9.9870 BFGS: 654 11:38:07 -757.698301 9.9688 BFGS: 655 11:38:07 -758.329294 9.9325 BFGS: 656 11:38:07 -758.915013 9.8849 BFGS: 657 11:38:07 -759.465197 9.8315 BFGS: 658 11:38:07 -759.986994 9.7780 BFGS: 659 11:38:07 -760.483537 9.7296 BFGS: 660 11:38:07 -760.958842 9.6811 BFGS: 661 11:38:07 -761.415252 9.6403 BFGS: 662 11:38:07 -761.853308 9.6037 BFGS: 663 11:38:08 -762.278257 9.5759 BFGS: 664 11:38:08 -762.687668 9.5570 BFGS: 665 11:38:08 -763.082979 9.5481 BFGS: 666 11:38:08 -763.462800 9.5486 BFGS: 667 11:38:08 -763.827164 9.5616 BFGS: 668 11:38:08 -764.170411 9.5839 BFGS: 669 11:38:08 -764.499458 9.6118 BFGS: 670 11:38:08 -764.811669 9.6464 BFGS: 671 11:38:08 -765.113030 9.6866 BFGS: 672 11:38:08 -765.405470 9.7300 BFGS: 673 11:38:08 -765.692720 9.7756 BFGS: 674 11:38:08 -765.976940 9.8237 BFGS: 675 11:38:08 -766.267225 9.8777 BFGS: 676 11:38:08 -766.557686 9.9237 BFGS: 677 11:38:08 -766.851281 9.9680 BFGS: 678 11:38:08 -767.146085 10.0118 BFGS: 679 11:38:08 -767.446531 10.0497 BFGS: 680 11:38:09 -767.756920 10.0907 BFGS: 681 11:38:09 -768.071215 10.1293 BFGS: 682 11:38:09 -768.394309 10.1671 BFGS: 683 11:38:09 -768.726614 10.2034 BFGS: 684 11:38:09 -769.071514 10.2389 BFGS: 685 11:38:09 -769.430278 10.2735 BFGS: 686 11:38:09 -769.806535 10.3078 BFGS: 687 11:38:09 -770.202563 10.3420 BFGS: 688 11:38:09 -770.623469 10.3769 BFGS: 689 11:38:09 -771.076099 10.4132 BFGS: 690 11:38:09 -771.562295 10.4518 BFGS: 691 11:38:09 -772.085648 10.4952 BFGS: 692 11:38:10 -772.650063 10.5418 BFGS: 693 11:38:10 -773.263711 10.5968 BFGS: 694 11:38:10 -773.927224 10.6585 BFGS: 695 11:38:10 -774.648339 10.7314 BFGS: 696 11:38:10 -775.423229 10.8140 BFGS: 697 11:38:10 -776.261619 10.9137 BFGS: 698 11:38:10 -777.153402 11.0180 BFGS: 699 11:38:10 -778.124613 11.1427 BFGS: 700 11:38:10 -779.142895 11.2680 BFGS: 701 11:38:10 -780.258885 11.4270 BFGS: 702 11:38:10 -781.382374 11.5388 BFGS: 703 11:38:10 -782.860303 11.8494 BFGS: 704 11:38:10 -784.187493 12.0388 BFGS: 705 11:38:10 -785.523817 12.2868 BFGS: 706 11:38:10 -786.879497 12.1888 BFGS: 707 11:38:11 -788.310179 12.2996 BFGS: 708 11:38:11 -789.726134 12.3973 BFGS: 709 11:38:11 -791.117067 12.4694 BFGS: 710 11:38:11 -792.487239 12.5204 BFGS: 711 11:38:11 -793.834111 12.5510 BFGS: 712 11:38:11 -795.159524 12.5763 BFGS: 713 11:38:11 -796.458885 12.5754 BFGS: 714 11:38:11 -797.730895 12.5666 BFGS: 715 11:38:11 -798.963763 12.5378 BFGS: 716 11:38:11 -800.160714 12.5014 BFGS: 717 11:38:11 -801.310670 12.4449 BFGS: 718 11:38:11 -802.415954 12.3846 BFGS: 719 11:38:12 -803.466271 12.3296 BFGS: 720 11:38:12 -804.468206 12.5043 BFGS: 721 11:38:12 -805.416757 12.6113 BFGS: 722 11:38:12 -806.319023 12.7468 BFGS: 723 11:38:12 -807.185066 12.8279 BFGS: 724 11:38:12 -808.022496 12.9431 BFGS: 725 11:38:12 -808.840571 13.0041 BFGS: 726 11:38:12 -809.646158 13.0853 BFGS: 727 11:38:12 -810.453476 13.1319 BFGS: 728 11:38:12 -811.252643 13.2049 BFGS: 729 11:38:12 -812.068998 13.2488 BFGS: 730 11:38:12 -812.873245 13.3295 BFGS: 731 11:38:13 -813.702962 13.3757 BFGS: 732 11:38:13 -814.507004 13.4696 BFGS: 733 11:38:13 -815.340320 13.5264 BFGS: 734 11:38:13 -816.142435 13.6281 BFGS: 735 11:38:13 -816.961548 13.6945 BFGS: 736 11:38:13 -817.757956 13.7976 BFGS: 737 11:38:13 -818.561253 13.8755 BFGS: 738 11:38:13 -819.346083 13.9769 BFGS: 739 11:38:13 -820.131596 14.0640 BFGS: 740 11:38:13 -820.902667 14.1668 BFGS: 741 11:38:13 -821.673479 14.2626 BFGS: 742 11:38:13 -822.427368 14.3714 BFGS: 743 11:38:13 -823.181799 14.4739 BFGS: 744 11:38:14 -823.922000 14.6023 BFGS: 745 11:38:14 -824.655793 14.7208 BFGS: 746 11:38:14 -825.371630 14.8420 BFGS: 747 11:38:14 -826.094057 14.9626 BFGS: 748 11:38:14 -826.796332 15.0988 BFGS: 749 11:38:14 -827.509029 15.2344 BFGS: 750 11:38:14 -828.194919 15.3901 BFGS: 751 11:38:14 -828.892720 15.5322 BFGS: 752 11:38:14 -829.565032 15.7030 BFGS: 753 11:38:15 -830.249704 15.8614 BFGS: 754 11:38:15 -830.907959 16.0591 BFGS: 755 11:38:16 -831.570439 16.2500 BFGS: 756 11:38:17 -832.207655 16.4569 BFGS: 757 11:38:17 -832.850942 16.6642 BFGS: 758 11:38:17 -833.475020 16.8812 BFGS: 759 11:38:18 -834.101328 17.1208 BFGS: 760 11:38:18 -834.713706 17.3676 BFGS: 761 11:38:18 -835.315242 17.6418 BFGS: 762 11:38:19 -835.944446 17.9022 BFGS: 763 11:38:19 -836.543046 18.2004 BFGS: 764 11:38:20 -837.230624 18.4809 BFGS: 765 11:38:20 -837.928502 18.7844 BFGS: 766 11:38:21 -838.586260 18.8430 BFGS: 767 11:38:21 -839.329593 19.3304 BFGS: 768 11:38:21 -840.055744 19.7868 BFGS: 769 11:38:22 -840.783307 20.2517 BFGS: 770 11:38:22 -841.504824 20.7456 BFGS: 771 11:38:23 -842.226335 21.2386 BFGS: 772 11:38:23 -842.947362 21.7796 BFGS: 773 11:38:24 -843.677016 22.3037 BFGS: 774 11:38:24 -844.411093 22.8980 BFGS: 775 11:38:25 -845.167267 23.4691 BFGS: 776 11:38:25 -845.948065 24.1400 BFGS: 777 11:38:26 -846.784495 24.7691 BFGS: 778 11:38:26 -847.683289 25.5515 BFGS: 779 11:38:26 -848.699579 26.1519 BFGS: 780 11:38:27 -849.810668 27.0290 BFGS: 781 11:38:27 -850.713041 28.2012 BFGS: 782 11:38:28 -852.238326 28.7190 BFGS: 783 11:38:28 -853.965690 29.4356 BFGS: 784 11:38:28 -855.933942 29.9410 BFGS: 785 11:38:28 -857.616279 30.0068 BFGS: 786 11:38:29 -858.875114 29.6963 BFGS: 787 11:38:29 -859.966776 29.3902 BFGS: 788 11:38:29 -860.997544 29.1531 BFGS: 789 11:38:30 -862.004537 28.9529 BFGS: 790 11:38:30 -862.997931 28.7847 BFGS: 791 11:38:30 -863.985839 28.6268 BFGS: 792 11:38:31 -864.972571 28.4625 BFGS: 793 11:38:31 -865.924286 28.3208 BFGS: 794 11:38:32 -866.857849 28.1868 BFGS: 795 11:38:32 -867.826116 28.0502 BFGS: 796 11:38:33 -868.833333 27.9388 BFGS: 797 11:38:33 -869.881937 27.8699 BFGS: 798 11:38:33 -870.977973 27.8402 BFGS: 799 11:38:34 -872.133317 27.8555 BFGS: 800 11:38:34 -873.360069 27.9182 BFGS: 801 11:38:34 -874.674201 28.0144 BFGS: 802 11:38:35 -876.095707 28.1483 BFGS: 803 11:38:35 -877.651824 28.3485 BFGS: 804 11:38:35 -879.378585 28.5691 BFGS: 805 11:38:36 -881.319685 28.8812 BFGS: 806 11:38:36 -883.557394 29.2219 BFGS: 807 11:38:37 -886.168374 29.7044 BFGS: 808 11:38:37 -889.343413 30.2510 BFGS: 809 11:38:37 -893.200017 31.0578 BFGS: 810 11:38:38 -898.188299 32.1227 BFGS: 811 11:38:38 -902.173119 34.5992 BFGS: 812 11:38:38 -909.632175 35.4052 BFGS: 813 11:38:39 -916.715149 37.3312 BFGS: 814 11:38:39 -923.133794 38.8285 BFGS: 815 11:38:39 -929.014521 40.0602 BFGS: 816 11:38:40 -934.251075 40.8785 BFGS: 817 11:38:40 -939.049114 41.4964 BFGS: 818 11:38:40 -943.387268 41.8210 BFGS: 819 11:38:41 -947.445615 42.0617 BFGS: 820 11:38:41 -951.210417 42.0983 BFGS: 821 11:38:42 -954.815262 42.0851 BFGS: 822 11:38:42 -958.241209 41.9721 BFGS: 823 11:38:42 -961.576407 41.8316 BFGS: 824 11:38:43 -964.803014 41.6196 BFGS: 825 11:38:43 -967.973697 41.3819 BFGS: 826 11:38:44 -971.078303 41.5730 BFGS: 827 11:38:44 -974.143328 42.4008 BFGS: 828 11:38:44 -977.168220 42.7586 BFGS: 829 11:38:45 -980.159520 43.3809 BFGS: 830 11:38:45 -983.123428 43.6696 BFGS: 831 11:38:45 -986.053358 44.1160 BFGS: 832 11:38:46 -988.960938 44.3338 BFGS: 833 11:38:46 -991.835128 44.6517 BFGS: 834 11:38:46 -994.683674 44.7950 BFGS: 835 11:38:47 -997.493354 45.0121 BFGS: 836 11:38:47 -1000.267261 45.1048 BFGS: 837 11:38:48 -1002.993027 45.2316 BFGS: 838 11:38:48 -1005.672813 45.2646 BFGS: 839 11:38:49 -1008.293791 45.3426 BFGS: 840 11:38:49 -1010.859368 45.3461 BFGS: 841 11:38:49 -1013.357124 45.3978 BFGS: 842 11:38:50 -1015.791812 45.4025 BFGS: 843 11:38:50 -1018.158443 45.4640 BFGS: 844 11:38:50 -1020.465356 45.4783 BFGS: 845 11:38:50 -1022.710063 45.5643 BFGS: 846 11:38:50 -1024.908833 45.5895 BFGS: 847 11:38:50 -1027.059151 45.7029 BFGS: 848 11:38:51 -1029.185231 45.7432 BFGS: 849 11:38:51 -1031.279296 45.8381 BFGS: 850 11:38:51 -1033.370739 45.8833 BFGS: 851 11:38:52 -1035.450724 45.8757 BFGS: 852 11:38:52 -1037.536159 45.8916 BFGS: 853 11:38:52 -1039.630311 45.7909 BFGS: 854 11:38:53 -1041.706464 45.5858 BFGS: 855 11:38:53 -1044.290514 45.2144 BFGS: 856 11:38:53 -1047.053617 44.1718 BFGS: 857 11:38:53 -1049.594254 42.9842 BFGS: 858 11:38:54 -1053.194849 42.5304 BFGS: 859 11:38:54 -1057.066721 41.4172 BFGS: 860 11:38:54 -1061.470676 39.7823 BFGS: 861 11:38:55 -1066.298542 37.3877 BFGS: 862 11:38:55 -1071.467291 34.2384 BFGS: 863 11:38:55 -1076.436844 34.4842 BFGS: 864 11:38:56 -1079.117665 31.7493 BFGS: 865 11:38:56 -1081.788411 29.2627 BFGS: 866 11:38:56 -1084.399869 27.8861 BFGS: 867 11:38:57 -1087.124773 26.2938 BFGS: 868 11:38:57 -1089.888227 26.8400 BFGS: 869 11:38:57 -1092.801218 28.6559 BFGS: 870 11:38:58 -1095.754083 30.6052 BFGS: 871 11:38:58 -1098.796036 32.4802 BFGS: 872 11:38:58 -1101.813081 34.2523 BFGS: 873 11:38:59 -1104.857015 35.8438 BFGS: 874 11:38:59 -1107.807821 37.2285 BFGS: 875 11:39:00 -1110.729311 38.3697 BFGS: 876 11:39:00 -1113.391246 39.2711 BFGS: 877 11:39:00 -1115.991732 39.9479 BFGS: 878 11:39:01 -1118.348849 40.4704 BFGS: 879 11:39:01 -1120.655336 40.8178 BFGS: 880 11:39:01 -1122.776560 41.0847 BFGS: 881 11:39:01 -1124.848504 41.2251 BFGS: 882 11:39:02 -1126.792627 41.3154 BFGS: 883 11:39:02 -1128.695833 41.3035 BFGS: 884 11:39:03 -1130.503671 41.2583 BFGS: 885 11:39:03 -1132.284249 41.1278 BFGS: 886 11:39:03 -1133.991080 40.9693 BFGS: 887 11:39:04 -1135.680143 40.7430 BFGS: 888 11:39:04 -1137.312455 40.4876 BFGS: 889 11:39:04 -1138.944212 40.1571 BFGS: 890 11:39:05 -1140.528231 39.8047 BFGS: 891 11:39:05 -1142.130185 39.3758 BFGS: 892 11:39:05 -1143.685929 38.9537 BFGS: 893 11:39:06 -1145.280911 38.4475 BFGS: 894 11:39:06 -1146.843432 37.9367 BFGS: 895 11:39:06 -1148.462255 37.3374 BFGS: 896 11:39:07 -1150.056820 36.7430 BFGS: 897 11:39:07 -1151.723585 36.0629 BFGS: 898 11:39:07 -1153.378146 35.3896 BFGS: 899 11:39:08 -1155.113932 35.1614 BFGS: 900 11:39:08 -1156.865914 35.1566 BFGS: 901 11:39:08 -1158.703006 35.7117 BFGS: 902 11:39:09 -1160.578230 35.6717 BFGS: 903 11:39:09 -1162.550966 36.0245 BFGS: 904 11:39:09 -1164.571958 35.8275 BFGS: 905 11:39:10 -1166.707662 35.9468 BFGS: 906 11:39:10 -1168.912107 35.4468 BFGS: 907 11:39:11 -1171.244816 35.1614 BFGS: 908 11:39:11 -1173.685249 34.1636 BFGS: 909 11:39:11 -1176.274968 33.2596 BFGS: 910 11:39:12 -1179.083455 31.3644 BFGS: 911 11:39:12 -1182.050095 29.0716 BFGS: 912 11:39:12 -1185.686726 25.9718 BFGS: 913 11:39:13 -1188.767513 19.7916 BFGS: 914 11:39:13 -1191.577614 19.2477 BFGS: 915 11:39:13 -1194.096263 15.5101 BFGS: 916 11:39:13 -1196.688564 22.4648 BFGS: 917 11:39:14 -1198.837582 22.3494 BFGS: 918 11:39:14 -1200.456545 22.3603 BFGS: 919 11:39:15 -1201.673808 15.5871 BFGS: 920 11:39:15 -1202.565337 10.7885 BFGS: 921 11:39:15 -1202.976279 9.9268 BFGS: 922 11:39:16 -1203.516390 11.5295 BFGS: 923 11:39:16 -1203.888649 8.9528 BFGS: 924 11:39:16 -1204.272971 9.1784 BFGS: 925 11:39:17 -1204.724365 7.4761 BFGS: 926 11:39:17 -1205.450705 7.6003 BFGS: 927 11:39:17 -1206.275764 8.1854 BFGS: 928 11:39:18 -1207.076098 9.9929 BFGS: 929 11:39:18 -1207.896530 11.1431 BFGS: 930 11:39:19 -1208.775166 14.5685 BFGS: 931 11:39:19 -1210.045261 18.5007 BFGS: 932 11:39:20 -1212.122080 17.3313 BFGS: 933 11:39:20 -1213.756934 19.9773 BFGS: 934 11:39:21 -1215.158119 20.3312 BFGS: 935 11:39:21 -1215.750136 11.5277 BFGS: 936 11:39:22 -1216.251066 10.9752 BFGS: 937 11:39:22 -1216.776794 9.7702 BFGS: 938 11:39:23 -1217.289245 8.1486 BFGS: 939 11:39:23 -1217.621443 6.8174 BFGS: 940 11:39:24 -1217.819000 6.7828 BFGS: 941 11:39:24 -1217.935794 7.0515 BFGS: 942 11:39:25 -1218.053217 7.5585 BFGS: 943 11:39:25 -1218.165746 7.4280 BFGS: 944 11:39:26 -1218.525189 7.1696 BFGS: 945 11:39:26 -1218.834734 7.1380 BFGS: 946 11:39:27 -1219.132746 6.0417 BFGS: 947 11:39:27 -1219.402929 5.1628 BFGS: 948 11:39:27 -1219.548609 4.5913 BFGS: 949 11:39:28 -1219.619584 4.5319 BFGS: 950 11:39:28 -1219.653818 4.4967 BFGS: 951 11:39:29 -1219.678676 4.7683 BFGS: 952 11:39:29 -1219.706828 4.9862 BFGS: 953 11:39:30 -1219.747172 5.0881 BFGS: 954 11:39:30 -1219.831907 5.5136 BFGS: 955 11:39:31 -1219.949563 5.2378 BFGS: 956 11:39:31 -1220.053990 4.0504 BFGS: 957 11:39:32 -1220.105793 4.1207 BFGS: 958 11:39:32 -1220.136697 4.2067 BFGS: 959 11:39:33 -1220.170612 4.2332 BFGS: 960 11:39:33 -1220.209482 4.1877 BFGS: 961 11:39:34 -1220.242208 4.9102 BFGS: 962 11:39:34 -1220.260498 5.5066 BFGS: 963 11:39:34 -1220.268929 5.7797 BFGS: 964 11:39:35 -1220.273033 6.0355 BFGS: 965 11:39:35 -1220.274538 6.1483 BFGS: 966 11:39:36 -1220.276940 6.3756 BFGS: 967 11:39:36 -1220.278476 6.4538 BFGS: 968 11:39:36 -1220.285087 6.5570 BFGS: 969 11:39:36 -1220.296100 6.5433 BFGS: 970 11:39:37 -1220.324031 6.2103 BFGS: 971 11:39:37 -1220.379917 5.3331 BFGS: 972 11:39:37 -1220.482692 4.0111 BFGS: 973 11:39:38 -1220.601983 3.5809 BFGS: 974 11:39:38 -1220.675500 1.7547 BFGS: 975 11:39:38 -1220.693152 0.5486 BFGS: 976 11:39:39 -1220.694604 0.5404 BFGS: 977 11:39:39 -1220.694858 0.5367 BFGS: 978 11:39:39 -1220.695217 0.5347 BFGS: 979 11:39:40 -1220.695322 0.5341 BFGS: 980 11:39:40 -1220.696069 0.5308 BFGS: 981 11:39:41 -1220.697311 0.6578 BFGS: 982 11:39:41 -1220.701007 1.0132 BFGS: 983 11:39:41 -1220.710054 1.5383 BFGS: 984 11:39:42 -1220.724809 2.0125 BFGS: 985 11:39:42 -1220.741495 2.3380 BFGS: 986 11:39:42 -1220.759801 2.5855 BFGS: 987 11:39:43 -1220.779305 2.7880 BFGS: 988 11:39:43 -1220.799691 2.9627 BFGS: 989 11:39:43 -1220.820730 3.1192 BFGS: 990 11:39:44 -1220.842250 3.2640 BFGS: 991 11:39:44 -1220.864406 3.4013 BFGS: 992 11:39:44 -1220.887087 3.5235 BFGS: 993 11:39:45 -1220.908485 3.6439 BFGS: 994 11:39:45 -1220.934947 3.7359 BFGS: 995 11:39:45 -1220.962746 3.7898 BFGS: 996 11:39:46 -1220.991592 3.8354 BFGS: 997 11:39:46 -1221.021411 3.8701 BFGS: 998 11:39:46 -1221.052366 3.8945 BFGS: 999 11:39:47 -1221.084658 3.9045 BFGS: 1000 11:39:47 -1221.117674 3.9077 BFGS: 1001 11:39:47 -1221.151767 3.9051 BFGS: 1002 11:39:48 -1221.186778 3.8958 BFGS: 1003 11:39:48 -1221.223112 3.8773 BFGS: 1004 11:39:48 -1221.260104 3.8540 BFGS: 1005 11:39:49 -1221.297529 3.8289 BFGS: 1006 11:39:49 -1221.335379 3.8022 BFGS: 1007 11:39:49 -1221.373656 3.7747 BFGS: 1008 11:39:50 -1221.412351 3.7465 BFGS: 1009 11:39:50 -1221.451565 3.7179 BFGS: 1010 11:39:51 -1221.491363 3.6829 BFGS: 1011 11:39:51 -1221.531601 3.6523 BFGS: 1012 11:39:51 -1221.572216 3.6211 BFGS: 1013 11:39:51 -1221.613252 3.5905 BFGS: 1014 11:39:52 -1221.654945 3.5598 BFGS: 1015 11:39:52 -1221.697420 3.5210 BFGS: 1016 11:39:52 -1221.740297 3.4866 BFGS: 1017 11:39:52 -1221.784276 3.4495 BFGS: 1018 11:39:53 -1221.828496 3.4134 BFGS: 1019 11:39:53 -1221.873463 3.3791 BFGS: 1020 11:39:53 -1221.918807 3.3397 BFGS: 1021 11:39:54 -1221.964763 3.3047 BFGS: 1022 11:39:54 -1222.011037 3.2695 BFGS: 1023 11:39:54 -1222.057791 3.2362 BFGS: 1024 11:39:54 -1222.104963 3.2033 BFGS: 1025 11:39:54 -1222.152902 3.1713 BFGS: 1026 11:39:54 -1222.201584 3.1368 BFGS: 1027 11:39:54 -1222.250648 3.1029 BFGS: 1028 11:39:55 -1222.300504 3.0705 BFGS: 1029 11:39:55 -1222.351036 3.0402 BFGS: 1030 11:39:55 -1222.402037 3.0076 BFGS: 1031 11:39:56 -1222.453527 2.9755 BFGS: 1032 11:39:56 -1222.505513 2.9439 BFGS: 1033 11:39:56 -1222.558035 2.9130 BFGS: 1034 11:39:57 -1222.611442 2.8765 BFGS: 1035 11:39:57 -1222.665650 2.8447 BFGS: 1036 11:39:57 -1222.720686 2.8128 BFGS: 1037 11:39:58 -1222.776874 2.7787 BFGS: 1038 11:39:58 -1222.833649 2.7458 BFGS: 1039 11:39:58 -1222.891410 2.7134 BFGS: 1040 11:39:59 -1222.949776 2.6808 BFGS: 1041 11:39:59 -1223.008691 2.6490 BFGS: 1042 11:39:59 -1223.068210 2.6183 BFGS: 1043 11:39:59 -1223.128519 2.5885 BFGS: 1044 11:40:00 -1223.189532 2.5544 BFGS: 1045 11:40:00 -1223.251243 2.5254 BFGS: 1046 11:40:00 -1223.313563 2.4970 BFGS: 1047 11:40:00 -1223.376556 2.4699 BFGS: 1048 11:40:01 -1223.440351 2.4433 BFGS: 1049 11:40:01 -1223.505026 2.4157 BFGS: 1050 11:40:01 -1223.570878 2.3879 BFGS: 1051 11:40:02 -1223.637814 2.3599 BFGS: 1052 11:40:02 -1223.705665 2.3317 BFGS: 1053 11:40:02 -1223.774498 2.3045 BFGS: 1054 11:40:03 -1223.844269 2.2737 BFGS: 1055 11:40:03 -1223.915102 2.2468 BFGS: 1056 11:40:03 -1223.986726 2.2198 BFGS: 1057 11:40:03 -1224.059996 2.1874 BFGS: 1058 11:40:04 -1224.134472 2.1629 BFGS: 1059 11:40:04 -1224.209757 2.1362 BFGS: 1060 11:40:05 -1224.285830 2.1102 BFGS: 1061 11:40:05 -1224.362737 2.0849 BFGS: 1062 11:40:05 -1224.440481 2.0603 BFGS: 1063 11:40:06 -1224.519344 2.0365 BFGS: 1064 11:40:06 -1224.599165 2.0109 BFGS: 1065 11:40:06 -1224.679851 1.9879 BFGS: 1066 11:40:06 -1224.761638 1.9658 BFGS: 1067 11:40:07 -1224.844459 1.9424 BFGS: 1068 11:40:07 -1224.928592 1.9219 BFGS: 1069 11:40:07 -1225.013673 1.8954 BFGS: 1070 11:40:08 -1225.099713 1.8739 BFGS: 1071 11:40:08 -1225.187245 1.8534 BFGS: 1072 11:40:08 -1225.275866 1.8363 BFGS: 1073 11:40:09 -1225.365568 1.8174 BFGS: 1074 11:40:09 -1225.456265 1.7970 BFGS: 1075 11:40:09 -1225.548022 1.7778 BFGS: 1076 11:40:09 -1225.640989 1.7586 BFGS: 1077 11:40:10 -1225.735227 1.7440 BFGS: 1078 11:40:10 -1225.830764 1.7665 BFGS: 1079 11:40:10 -1225.927759 1.7320 BFGS: 1080 11:40:11 -1226.025933 1.7536 BFGS: 1081 11:40:11 -1226.125235 1.7763 BFGS: 1082 11:40:11 -1226.225722 1.7985 BFGS: 1083 11:40:12 -1226.327399 1.8218 BFGS: 1084 11:40:12 -1226.430276 1.8452 BFGS: 1085 11:40:12 -1226.534429 1.8671 BFGS: 1086 11:40:13 -1226.640151 1.8980 BFGS: 1087 11:40:13 -1226.747320 1.9248 BFGS: 1088 11:40:13 -1226.855903 1.9509 BFGS: 1089 11:40:13 -1226.965941 1.9819 BFGS: 1090 11:40:14 -1227.077458 2.0083 BFGS: 1091 11:40:14 -1227.190342 2.0336 BFGS: 1092 11:40:14 -1227.304596 2.0596 BFGS: 1093 11:40:15 -1227.420249 2.0858 BFGS: 1094 11:40:15 -1227.537343 2.1171 BFGS: 1095 11:40:15 -1227.656401 2.1493 BFGS: 1096 11:40:16 -1227.777227 2.1809 BFGS: 1097 11:40:16 -1227.899501 2.2085 BFGS: 1098 11:40:16 -1228.023282 2.2379 BFGS: 1099 11:40:17 -1228.148596 2.2670 BFGS: 1100 11:40:17 -1228.275450 2.2959 BFGS: 1101 11:40:17 -1228.403886 2.3256 BFGS: 1102 11:40:18 -1228.533927 2.3556 BFGS: 1103 11:40:18 -1228.665788 2.3994 BFGS: 1104 11:40:18 -1228.800622 2.4413 BFGS: 1105 11:40:19 -1228.937655 2.4820 BFGS: 1106 11:40:19 -1229.077139 2.5325 BFGS: 1107 11:40:19 -1229.218715 2.5686 BFGS: 1108 11:40:19 -1229.362017 2.6025 BFGS: 1109 11:40:20 -1229.507288 2.6414 BFGS: 1110 11:40:20 -1229.654604 2.6779 BFGS: 1111 11:40:21 -1229.803687 2.7119 BFGS: 1112 11:40:21 -1229.955080 2.7548 BFGS: 1113 11:40:21 -1230.108534 2.7931 BFGS: 1114 11:40:22 -1230.263916 2.8338 BFGS: 1115 11:40:22 -1230.421817 2.8793 BFGS: 1116 11:40:22 -1230.581984 2.9210 BFGS: 1117 11:40:22 -1230.744245 2.9602 BFGS: 1118 11:40:23 -1230.908731 3.0020 BFGS: 1119 11:40:23 -1231.075465 3.0454 BFGS: 1120 11:40:23 -1231.244570 3.0872 BFGS: 1121 11:40:24 -1231.415938 3.1435 BFGS: 1122 11:40:24 -1231.590513 3.1913 BFGS: 1123 11:40:24 -1231.768077 3.2470 BFGS: 1124 11:40:25 -1231.948388 3.2981 BFGS: 1125 11:40:25 -1232.131531 3.3525 BFGS: 1126 11:40:25 -1232.317103 3.3969 BFGS: 1127 11:40:25 -1232.505536 3.4543 BFGS: 1128 11:40:26 -1232.697273 3.5075 BFGS: 1129 11:40:26 -1232.892148 3.5723 BFGS: 1130 11:40:26 -1233.090091 3.6262 BFGS: 1131 11:40:27 -1233.291196 3.6824 BFGS: 1132 11:40:27 -1233.495303 3.7373 BFGS: 1133 11:40:27 -1233.702044 3.7889 BFGS: 1134 11:40:28 -1233.911552 3.8407 BFGS: 1135 11:40:28 -1234.123880 3.8931 BFGS: 1136 11:40:28 -1234.339371 3.9520 BFGS: 1137 11:40:29 -1234.557855 4.0064 BFGS: 1138 11:40:29 -1234.779265 4.0612 BFGS: 1139 11:40:29 -1235.003731 4.1170 BFGS: 1140 11:40:29 -1235.231272 4.1736 BFGS: 1141 11:40:30 -1235.462127 4.2358 BFGS: 1142 11:40:30 -1235.696259 4.2944 BFGS: 1143 11:40:30 -1235.933610 4.3537 BFGS: 1144 11:40:31 -1236.174283 4.4141 BFGS: 1145 11:40:31 -1236.418321 4.4755 BFGS: 1146 11:40:31 -1236.665802 4.5418 BFGS: 1147 11:40:31 -1236.916889 4.6031 BFGS: 1148 11:40:32 -1237.171735 4.6743 BFGS: 1149 11:40:32 -1237.430968 4.7490 BFGS: 1150 11:40:32 -1237.693822 4.8171 BFGS: 1151 11:40:33 -1237.960469 4.8860 BFGS: 1152 11:40:33 -1238.230906 4.9556 BFGS: 1153 11:40:33 -1238.505538 5.0326 BFGS: 1154 11:40:34 -1238.784476 5.1084 BFGS: 1155 11:40:34 -1239.067428 5.1823 BFGS: 1156 11:40:34 -1239.354525 5.2573 BFGS: 1157 11:40:35 -1239.645994 5.3408 BFGS: 1158 11:40:35 -1239.942116 5.4192 BFGS: 1159 11:40:36 -1240.242785 5.5061 BFGS: 1160 11:40:36 -1240.548246 5.5859 BFGS: 1161 11:40:37 -1240.858049 5.6675 BFGS: 1162 11:40:37 -1241.172552 5.7508 BFGS: 1163 11:40:37 -1241.491770 5.8355 BFGS: 1164 11:40:37 -1241.815830 5.9217 BFGS: 1165 11:40:38 -1242.145126 6.0229 BFGS: 1166 11:40:38 -1242.481168 6.1244 BFGS: 1167 11:40:38 -1242.821730 6.2167 BFGS: 1168 11:40:39 -1243.167730 6.3102 BFGS: 1169 11:40:39 -1243.519008 6.4053 BFGS: 1170 11:40:39 -1243.875780 6.5020 BFGS: 1171 11:40:40 -1244.238317 6.6038 BFGS: 1172 11:40:40 -1244.606643 6.7048 BFGS: 1173 11:40:40 -1244.980786 6.8073 BFGS: 1174 11:40:41 -1245.361183 6.9152 BFGS: 1175 11:40:41 -1245.748478 7.0379 BFGS: 1176 11:40:41 -1246.142643 7.1484 BFGS: 1177 11:40:42 -1246.542895 7.2604 BFGS: 1178 11:40:42 -1246.950039 7.3737 BFGS: 1179 11:40:42 -1247.363711 7.4933 BFGS: 1180 11:40:43 -1247.784886 7.6178 BFGS: 1181 11:40:43 -1248.213260 7.7430 BFGS: 1182 11:40:43 -1248.649642 7.8778 BFGS: 1183 11:40:44 -1249.093455 8.0056 BFGS: 1184 11:40:44 -1249.545552 8.1480 BFGS: 1185 11:40:44 -1250.006029 8.2885 BFGS: 1186 11:40:45 -1250.474429 8.4270 BFGS: 1187 11:40:45 -1250.951827 8.5650 BFGS: 1188 11:40:46 -1251.437961 8.7340 BFGS: 1189 11:40:46 -1251.933800 8.8770 BFGS: 1190 11:40:46 -1252.438955 9.0308 BFGS: 1191 11:40:46 -1252.953759 9.1817 BFGS: 1192 11:40:47 -1253.477815 9.3356 BFGS: 1193 11:40:47 -1254.011612 9.4925 BFGS: 1194 11:40:47 -1254.555425 9.6527 BFGS: 1195 11:40:48 -1255.110126 9.8281 BFGS: 1196 11:40:48 -1255.675530 9.9986 BFGS: 1197 11:40:48 -1256.252413 10.1732 BFGS: 1198 11:40:48 -1256.841441 10.3577 BFGS: 1199 11:40:49 -1257.442524 10.5395 BFGS: 1200 11:40:49 -1258.057474 10.7283 BFGS: 1201 11:40:49 -1258.683798 10.9179 BFGS: 1202 11:40:49 -1259.323829 11.1192 BFGS: 1203 11:40:50 -1259.977489 11.3265 BFGS: 1204 11:40:50 -1260.645604 11.5384 BFGS: 1205 11:40:50 -1261.329050 11.7531 BFGS: 1206 11:40:51 -1262.028658 11.9777 BFGS: 1207 11:40:51 -1262.744620 12.2023 BFGS: 1208 11:40:51 -1263.477295 12.4336 BFGS: 1209 11:40:51 -1264.227500 12.6739 BFGS: 1210 11:40:52 -1264.995988 12.9193 BFGS: 1211 11:40:52 -1265.783617 13.1675 BFGS: 1212 11:40:52 -1266.591218 13.4177 BFGS: 1213 11:40:53 -1267.418791 13.6787 BFGS: 1214 11:40:53 -1268.267880 13.9449 BFGS: 1215 11:40:53 -1269.139249 14.2206 BFGS: 1216 11:40:54 -1270.034357 14.5085 BFGS: 1217 11:40:54 -1270.953742 14.8004 BFGS: 1218 11:40:54 -1271.899114 15.0987 BFGS: 1219 11:40:55 -1272.870671 15.4060 BFGS: 1220 11:40:55 -1273.869860 15.7286 BFGS: 1221 11:40:55 -1274.897915 16.0624 BFGS: 1222 11:40:56 -1275.955935 16.4002 BFGS: 1223 11:40:56 -1277.045062 16.7479 BFGS: 1224 11:40:56 -1278.166101 17.0940 BFGS: 1225 11:40:57 -1279.321416 17.4630 BFGS: 1226 11:40:57 -1280.510534 17.8253 BFGS: 1227 11:40:57 -1281.736710 18.2019 BFGS: 1228 11:40:57 -1283.000039 18.5985 BFGS: 1229 11:40:58 -1284.301998 18.9963 BFGS: 1230 11:40:58 -1285.644845 19.4085 BFGS: 1231 11:40:58 -1287.028142 19.8115 BFGS: 1232 11:40:58 -1288.456388 20.2208 BFGS: 1233 11:40:59 -1289.928964 20.6471 BFGS: 1234 11:40:59 -1291.445302 21.0753 BFGS: 1235 11:40:59 -1293.008599 21.5091 BFGS: 1236 11:41:00 -1294.621824 21.9403 BFGS: 1237 11:41:00 -1296.285227 22.3916 BFGS: 1238 11:41:00 -1297.992951 22.8271 BFGS: 1239 11:41:00 -1299.757448 23.2621 BFGS: 1240 11:41:01 -1301.579269 23.7121 BFGS: 1241 11:41:01 -1303.450354 24.1426 BFGS: 1242 11:41:01 -1305.381216 24.5691 BFGS: 1243 11:41:02 -1307.369243 24.9911 BFGS: 1244 11:41:02 -1309.412078 25.4088 BFGS: 1245 11:41:02 -1311.509799 25.8007 BFGS: 1246 11:41:02 -1313.664018 26.1877 BFGS: 1247 11:41:03 -1315.867190 26.5506 BFGS: 1248 11:41:03 -1318.123133 26.8919 BFGS: 1249 11:41:03 -1320.424552 27.2178 BFGS: 1250 11:41:04 -1322.760795 27.5072 BFGS: 1251 11:41:04 -1325.134092 27.8002 BFGS: 1252 11:41:04 -1327.525860 28.0420 BFGS: 1253 11:41:04 -1329.955786 28.2716 BFGS: 1254 11:41:05 -1332.408379 28.4984 BFGS: 1255 11:41:05 -1334.912890 28.7090 BFGS: 1256 11:41:05 -1337.479206 28.9298 BFGS: 1257 11:41:06 -1340.138735 29.1479 BFGS: 1258 11:41:06 -1342.910640 29.3582 BFGS: 1259 11:41:06 -1345.808950 29.5878 BFGS: 1260 11:41:07 -1348.843056 29.8230 BFGS: 1261 11:41:07 -1352.008203 30.0187 BFGS: 1262 11:41:07 -1355.288418 30.1769 BFGS: 1263 11:41:08 -1358.685459 30.2108 BFGS: 1264 11:41:08 -1362.128372 30.0145 BFGS: 1265 11:41:08 -1364.982365 29.6209 BFGS: 1266 11:41:08 -1367.177054 29.2035 BFGS: 1267 11:41:09 -1368.910445 28.8603 BFGS: 1268 11:41:09 -1370.411101 28.5911 BFGS: 1269 11:41:10 -1371.773220 28.3946 BFGS: 1270 11:41:10 -1373.059828 28.2483 BFGS: 1271 11:41:10 -1374.297628 28.1325 BFGS: 1272 11:41:10 -1375.515615 28.0430 BFGS: 1273 11:41:11 -1376.710121 27.9648 BFGS: 1274 11:41:11 -1377.901193 27.9066 BFGS: 1275 11:41:11 -1379.086953 27.8350 BFGS: 1276 11:41:12 -1380.272335 27.7589 BFGS: 1277 11:41:12 -1381.447228 27.6859 BFGS: 1278 11:41:12 -1382.630488 27.6033 BFGS: 1279 11:41:13 -1383.808727 27.5248 BFGS: 1280 11:41:13 -1384.986318 27.4356 BFGS: 1281 11:41:13 -1386.158298 27.3533 BFGS: 1282 11:41:14 -1387.327068 27.2677 BFGS: 1283 11:41:14 -1388.503190 27.1716 BFGS: 1284 11:41:14 -1389.674711 27.0759 BFGS: 1285 11:41:14 -1390.841373 26.9645 BFGS: 1286 11:41:15 -1392.010051 26.8455 BFGS: 1287 11:41:15 -1393.179031 26.7307 BFGS: 1288 11:41:15 -1394.345617 26.6021 BFGS: 1289 11:41:16 -1395.510155 26.4693 BFGS: 1290 11:41:16 -1396.672613 26.3293 BFGS: 1291 11:41:16 -1397.827385 26.1879 BFGS: 1292 11:41:17 -1398.984231 26.0425 BFGS: 1293 11:41:17 -1400.135624 25.9015 BFGS: 1294 11:41:17 -1401.281867 25.7532 BFGS: 1295 11:41:18 -1402.426031 25.5914 BFGS: 1296 11:41:18 -1403.568932 25.4346 BFGS: 1297 11:41:18 -1404.704583 25.2663 BFGS: 1298 11:41:18 -1405.839216 25.1042 BFGS: 1299 11:41:19 -1406.966214 25.2889 BFGS: 1300 11:41:19 -1408.091406 25.8231 BFGS: 1301 11:41:19 -1409.209592 26.1808 BFGS: 1302 11:41:20 -1410.325488 26.6363 BFGS: 1303 11:41:20 -1411.433084 26.9330 BFGS: 1304 11:41:20 -1412.539393 27.3029 BFGS: 1305 11:41:21 -1413.634515 27.5605 BFGS: 1306 11:41:21 -1414.723070 28.0333 BFGS: 1307 11:41:21 -1415.812967 28.5580 BFGS: 1308 11:41:21 -1416.897576 28.9853 BFGS: 1309 11:41:22 -1417.978911 29.4292 BFGS: 1310 11:41:22 -1419.058863 29.7722 BFGS: 1311 11:41:22 -1420.133526 30.1266 BFGS: 1312 11:41:22 -1421.201613 30.4119 BFGS: 1313 11:41:23 -1422.270372 30.6866 BFGS: 1314 11:41:23 -1423.333862 30.8888 BFGS: 1315 11:41:23 -1424.395721 31.0954 BFGS: 1316 11:41:23 -1425.453216 31.2126 BFGS: 1317 11:41:24 -1426.509322 31.3214 BFGS: 1318 11:41:24 -1427.556863 31.3651 BFGS: 1319 11:41:24 -1428.593214 31.4127 BFGS: 1320 11:41:25 -1429.638520 31.3556 BFGS: 1321 11:41:25 -1430.684234 31.3115 BFGS: 1322 11:41:26 -1431.730674 31.1481 BFGS: 1323 11:41:26 -1432.776036 31.0196 BFGS: 1324 11:41:26 -1433.819635 30.7722 BFGS: 1325 11:41:27 -1434.860656 30.5774 BFGS: 1326 11:41:27 -1435.907325 30.2157 BFGS: 1327 11:41:27 -1436.945295 29.9577 BFGS: 1328 11:41:28 -1437.996671 29.4812 BFGS: 1329 11:41:28 -1439.047246 29.1534 BFGS: 1330 11:41:28 -1440.103454 28.5937 BFGS: 1331 11:41:29 -1441.164391 28.1739 BFGS: 1332 11:41:29 -1442.230996 27.5485 BFGS: 1333 11:41:29 -1443.301447 27.0473 BFGS: 1334 11:41:30 -1444.387912 26.3658 BFGS: 1335 11:41:30 -1445.484737 25.7845 BFGS: 1336 11:41:30 -1446.599195 25.0476 BFGS: 1337 11:41:31 -1447.708938 24.4275 BFGS: 1338 11:41:31 -1448.853980 23.6372 BFGS: 1339 11:41:31 -1450.012456 22.9456 BFGS: 1340 11:41:32 -1451.198927 22.1223 BFGS: 1341 11:41:32 -1452.403037 21.3576 BFGS: 1342 11:41:32 -1453.633894 20.5328 BFGS: 1343 11:41:33 -1454.881463 19.7450 BFGS: 1344 11:41:33 -1456.134866 18.9294 BFGS: 1345 11:41:33 -1457.405560 18.1026 BFGS: 1346 11:41:34 -1458.688084 17.2246 BFGS: 1347 11:41:34 -1459.984916 16.3334 BFGS: 1348 11:41:34 -1461.294123 15.3928 BFGS: 1349 11:41:35 -1462.618483 14.4109 BFGS: 1350 11:41:35 -1463.955166 13.3837 BFGS: 1351 11:41:35 -1465.306239 12.3217 BFGS: 1352 11:41:36 -1466.674017 11.2401 BFGS: 1353 11:41:36 -1468.051480 11.6463 BFGS: 1354 11:41:36 -1469.441540 12.0593 BFGS: 1355 11:41:37 -1470.842433 12.4613 BFGS: 1356 11:41:37 -1472.254864 12.8723 BFGS: 1357 11:41:37 -1473.676248 13.2594 BFGS: 1358 11:41:38 -1475.107210 13.6601 BFGS: 1359 11:41:38 -1476.537071 14.2371 BFGS: 1360 11:41:38 -1477.973252 15.2389 BFGS: 1361 11:41:39 -1479.399280 16.2265 BFGS: 1362 11:41:39 -1480.827494 17.2503 BFGS: 1363 11:41:39 -1482.232921 18.2451 BFGS: 1364 11:41:40 -1483.634547 19.2941 BFGS: 1365 11:41:40 -1485.002101 20.2803 BFGS: 1366 11:41:40 -1486.361243 22.1565 BFGS: 1367 11:41:41 -1487.658116 24.9103 BFGS: 1368 11:41:41 -1488.937234 26.8915 BFGS: 1369 11:41:41 -1490.134396 29.9337 BFGS: 1370 11:41:41 -1491.312160 32.1367 BFGS: 1371 11:41:42 -1492.402291 35.3879 BFGS: 1372 11:41:42 -1493.476263 37.9812 BFGS: 1373 11:41:42 -1494.495525 41.4739 BFGS: 1374 11:41:43 -1495.513356 44.6245 BFGS: 1375 11:41:43 -1496.508057 48.3857 BFGS: 1376 11:41:44 -1497.530902 52.1156 BFGS: 1377 11:41:45 -1498.552075 56.1756 BFGS: 1378 11:41:45 -1499.634622 60.3943 BFGS: 1379 11:41:45 -1500.732499 64.8798 BFGS: 1380 11:41:46 -1501.996677 69.7005 BFGS: 1381 11:41:46 -1503.375973 74.6719 BFGS: 1382 11:41:46 -1505.009048 78.2164 BFGS: 1383 11:41:47 -1507.253498 79.7207 BFGS: 1384 11:41:47 -1509.722722 78.2927 BFGS: 1385 11:41:47 -1512.298319 73.5300 BFGS: 1386 11:41:48 -1513.583060 71.1829 BFGS: 1387 11:41:48 -1514.827604 67.9962 BFGS: 1388 11:41:48 -1515.767801 65.8578 BFGS: 1389 11:41:48 -1516.652139 63.4192 BFGS: 1390 11:41:49 -1517.382934 61.4489 BFGS: 1391 11:41:49 -1518.075799 59.4159 BFGS: 1392 11:41:49 -1518.685337 57.4381 BFGS: 1393 11:41:50 -1519.273018 55.4695 BFGS: 1394 11:41:50 -1519.828431 53.2994 BFGS: 1395 11:41:50 -1520.428184 50.9083 BFGS: 1396 11:41:51 -1521.182108 47.5414 BFGS: 1397 11:41:51 -1522.270140 43.7900 BFGS: 1398 11:41:51 -1524.346072 37.9013 BFGS: 1399 11:41:52 -1525.535746 35.9074 BFGS: 1400 11:41:52 -1526.614620 34.3867 BFGS: 1401 11:41:53 -1527.668383 33.2538 BFGS: 1402 11:41:53 -1528.725426 32.0793 BFGS: 1403 11:41:54 -1529.798633 30.9485 BFGS: 1404 11:41:54 -1530.895022 29.6381 BFGS: 1405 11:41:55 -1532.016378 28.2569 BFGS: 1406 11:41:55 -1533.175172 26.5997 BFGS: 1407 11:41:55 -1534.368484 24.8185 BFGS: 1408 11:41:55 -1535.627780 22.6644 BFGS: 1409 11:41:55 -1536.963773 20.4139 BFGS: 1410 11:41:56 -1538.348131 17.8787 BFGS: 1411 11:41:56 -1539.662472 16.2345 BFGS: 1412 11:41:57 -1540.982105 14.9721 BFGS: 1413 11:41:57 -1542.370005 15.0320 BFGS: 1414 11:41:57 -1543.800075 15.3723 BFGS: 1415 11:41:57 -1545.647951 14.9804 BFGS: 1416 11:41:58 -1547.884513 14.2978 BFGS: 1417 11:41:58 -1550.341126 12.6216 BFGS: 1418 11:41:59 -1552.625754 12.6106 BFGS: 1419 11:41:59 -1554.781868 12.9210 BFGS: 1420 11:41:59 -1556.629281 13.0534 BFGS: 1421 11:41:59 -1558.495309 13.2236 BFGS: 1422 11:42:00 -1560.216266 12.8376 BFGS: 1423 11:42:00 -1562.173534 12.4737 BFGS: 1424 11:42:01 -1564.102923 11.4443 BFGS: 1425 11:42:01 -1566.021760 12.3753 BFGS: 1426 11:42:01 -1567.757758 13.4766 BFGS: 1427 11:42:02 -1569.122320 13.5375 BFGS: 1428 11:42:02 -1569.774543 10.1363 BFGS: 1429 11:42:02 -1570.375762 6.0465 BFGS: 1430 11:42:03 -1570.740668 5.2973 BFGS: 1431 11:42:03 -1570.903883 3.1479 BFGS: 1432 11:42:03 -1571.014845 2.4562 BFGS: 1433 11:42:04 -1571.044017 2.3988 BFGS: 1434 11:42:04 -1571.059069 2.4002 BFGS: 1435 11:42:04 -1571.075656 2.3206 BFGS: 1436 11:42:04 -1571.092728 2.2583 BFGS: 1437 11:42:05 -1571.106477 2.0837 BFGS: 1438 11:42:05 -1571.122881 2.2989 BFGS: 1439 11:42:05 -1571.145894 2.2709 BFGS: 1440 11:42:06 -1571.178585 2.2045 BFGS: 1441 11:42:06 -1571.218027 1.9871 BFGS: 1442 11:42:06 -1571.251675 1.6785 BFGS: 1443 11:42:07 -1571.271301 0.9618 BFGS: 1444 11:42:07 -1571.279778 0.8333 BFGS: 1445 11:42:07 -1571.282956 0.6812 BFGS: 1446 11:42:07 -1571.284814 0.4946 BFGS: 1447 11:42:08 -1571.286130 0.3605 BFGS: 1448 11:42:08 -1571.287280 0.3701 BFGS: 1449 11:42:08 -1571.288233 0.2654 BFGS: 1450 11:42:08 -1571.288606 0.1577 BFGS: 1451 11:42:09 -1571.288757 0.1157 BFGS: 1452 11:42:09 -1571.288841 0.0716 BFGS: 1453 11:42:10 -1571.288894 0.0416 BFGS: 1454 11:42:10 -1571.288913 0.0279 BFGS: 1455 11:42:10 -1571.288919 0.0228 BFGS: 1456 11:42:11 -1571.288921 0.0112 BFGS: 1457 11:42:11 -1571.288922 0.0058 BFGS: 1458 11:42:11 -1571.288922 0.0040 BFGS: 1459 11:42:12 -1571.288922 0.0032 BFGS: 1460 11:42:12 -1571.288922 0.0014 BFGS: 1461 11:42:12 -1571.288922 0.0005 BFGS: 1462 11:42:13 -1571.288922 0.0002 BFGS: 1463 11:42:13 -1571.288922 0.0001 BFGS: 1464 11:42:13 -1571.288922 0.0000 BFGS: 1465 11:42:13 -1571.288922 0.0000 BFGS: 1466 11:42:14 -1571.288922 0.0000 BFGS: 1467 11:42:14 -1571.288922 0.0000 BFGS: 1468 11:42:15 -1571.288922 0.0000 BFGS: 1469 11:42:15 -1571.288922 0.0000 BFGS: 1470 11:42:15 -1571.288922 0.0000 BFGS: 1471 11:42:16 -1571.288922 0.0000 BFGS: 1472 11:42:16 -1571.288922 0.0000 BFGS: 1473 11:42:16 -1571.288922 0.0000 BFGS: 1474 11:42:17 -1571.288922 0.0000 BFGS: 1475 11:42:17 -1571.288922 0.0000 Minimization converged after 1475 steps. Maximum force component: 1.0481650213685528e-08 eV/Angstrom Maximum stress component: 1.157736172916991e-09 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'O', 'O', 'O', 'O'] basis = [[1.30266573e-30 2.78944236e-01 7.55529468e-01] [0.00000000e+00 7.21055764e-01 7.55529468e-01] [5.00000000e-01 7.78944236e-01 2.44470532e-01] [5.00000000e-01 2.21055764e-01 2.44470532e-01] [7.62051524e-01 1.57012602e-16 1.04919755e-02] [2.37948476e-01 1.57012602e-16 1.04919755e-02] [7.37948476e-01 5.00000000e-01 9.89508024e-01] [2.62051524e-01 5.00000000e-01 9.89508024e-01] [0.00000000e+00 3.56745421e-01 9.36876888e-02] [1.33880558e-30 6.43254579e-01 9.36876888e-02] [5.00000000e-01 8.56745421e-01 9.06312311e-01] [5.00000000e-01 1.43254579e-01 9.06312311e-01] [6.02117745e-01 1.57012602e-16 3.03242025e-01] [3.97882255e-01 1.57012602e-16 3.03242025e-01] [8.97882255e-01 5.00000000e-01 6.96757975e-01] [1.02117745e-01 5.00000000e-01 6.96757975e-01] [8.18791828e-01 2.78502709e-01 6.47423067e-02] [1.81208172e-01 7.21497291e-01 6.47423067e-02] [6.81208172e-01 7.78502709e-01 9.35257693e-01] [3.18791828e-01 2.21497291e-01 9.35257693e-01] [6.81208172e-01 2.21497291e-01 9.35257693e-01] [3.18791828e-01 7.78502709e-01 9.35257693e-01] [8.18791828e-01 7.21497291e-01 6.47423067e-02] [1.81208172e-01 2.78502709e-01 6.47423067e-02] [7.43901359e-01 4.28692470e-01 6.16442773e-01] [2.56098641e-01 5.71307530e-01 6.16442773e-01] [7.56098641e-01 9.28692470e-01 3.83557227e-01] [2.43901359e-01 7.13075297e-02 3.83557227e-01] [7.56098641e-01 7.13075297e-02 3.83557227e-01] [2.43901359e-01 9.28692470e-01 3.83557227e-01] [7.43901359e-01 5.71307530e-01 6.16442773e-01] [2.56098641e-01 4.28692470e-01 6.16442773e-01] [0.00000000e+00 1.57012602e-16 5.94772656e-01] [5.00000000e-01 5.00000000e-01 4.05227344e-01] [0.00000000e+00 5.00000000e-01 3.85018799e-01] [5.00000000e-01 1.57012602e-16 6.14981201e-01] [7.66726994e-31 2.05459143e-01 2.99513668e-01] [0.00000000e+00 7.94540857e-01 2.99513668e-01] [5.00000000e-01 7.05459143e-01 7.00486332e-01] [5.00000000e-01 2.94540857e-01 7.00486332e-01]] cellpar = Cell([2.8286180493449957, 4.492261063160061, 2.9901514416450303]) forces = [[ 0.00000000e+00 1.00798048e-09 7.51576325e-10] [ 0.00000000e+00 -1.00798048e-09 7.51576325e-10] [ 0.00000000e+00 1.00798048e-09 -7.51576325e-10] [ 0.00000000e+00 -1.00798048e-09 -7.51576325e-10] [-1.04287551e-08 0.00000000e+00 -8.99519710e-10] [ 1.04287551e-08 0.00000000e+00 -8.99519710e-10] [ 1.04287551e-08 0.00000000e+00 8.99519710e-10] [-1.04287551e-08 0.00000000e+00 8.99519710e-10] [-7.14043582e-29 -3.07408155e-10 -1.98685688e-09] [-2.14213075e-28 3.07408155e-10 -1.98685688e-09] [ 0.00000000e+00 -3.07408155e-10 1.98685688e-09] [ 0.00000000e+00 3.07408155e-10 1.98685688e-09] [ 1.56803650e-09 0.00000000e+00 -4.91277137e-09] [-1.56803650e-09 0.00000000e+00 -4.91277137e-09] [-1.56803650e-09 0.00000000e+00 4.91277137e-09] [ 1.56803650e-09 0.00000000e+00 4.91277137e-09] [-5.13916324e-10 -4.92365106e-10 8.56468155e-10] [ 5.13916324e-10 4.92365106e-10 8.56468155e-10] [ 5.13916324e-10 -4.92365106e-10 -8.56468155e-10] [-5.13916324e-10 4.92365106e-10 -8.56468155e-10] [ 5.13916324e-10 4.92365106e-10 -8.56468155e-10] [-5.13916324e-10 -4.92365106e-10 -8.56468155e-10] [-5.13916324e-10 4.92365106e-10 8.56468155e-10] [ 5.13916324e-10 -4.92365106e-10 8.56468155e-10] [ 1.10313769e-09 1.07834485e-09 -2.52577539e-11] [-1.10313769e-09 -1.07834485e-09 -2.52577539e-11] [-1.10313769e-09 1.07834485e-09 2.52577539e-11] [ 1.10313769e-09 -1.07834485e-09 2.52577539e-11] [-1.10313769e-09 -1.07834485e-09 2.52577539e-11] [ 1.10313769e-09 1.07834485e-09 2.52577539e-11] [ 1.10313769e-09 -1.07834485e-09 -2.52577539e-11] [-1.10313769e-09 1.07834485e-09 -2.52577539e-11] [ 0.00000000e+00 0.00000000e+00 -2.13487792e-09] [ 0.00000000e+00 0.00000000e+00 2.13487792e-09] [ 0.00000000e+00 0.00000000e+00 -1.04816502e-08] [ 0.00000000e+00 0.00000000e+00 1.04816502e-08] [ 0.00000000e+00 -4.08993346e-10 1.50849053e-09] [ 0.00000000e+00 4.08993346e-10 1.50849053e-09] [-7.14043582e-29 -4.08993346e-10 -1.50849053e-09] [-7.14043582e-29 4.08993346e-10 -1.50849053e-09]] stress = [9.66549320e-10 1.28731514e-10 1.15773617e-09 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -39.28222306113065 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0