element(s): ['C', 'H', 'N'] AFLOW prototype label: AB2C2_oP40_61_c_2c_2c Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['7.0164', '1.2412063', '1.0495838', '0.05969915', '0.76418814', '0.8630541', '0.11575454', '0.98374928', '0.78887849', '0.27462955', '0.89710372', '0.95215505', '0.15961953', '0.89034722', '0.86490724', '0.97089669', '0.6492836', '0.8625055'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'H', 'H', 'N', 'N'] representative atom coordinates = [[0.05969915 0.76418814 0.8630541 ] [0.11575454 0.98374928 0.78887849] [0.27462955 0.89710372 0.95215505] [0.15961953 0.89034722 0.86490724] [0.97089669 0.6492836 0.8625055 ]] spacegroup = 61 cell = [[7.0164, 0, 0], [0, 8.7088, 0], [0, 0, 7.3643]] ========================================= Step Time Energy fmax BFGS: 0 14:06:51 291.923592 833.1846 BFGS: 1 14:06:51 -16.010669 253.5862 BFGS: 2 14:06:51 -120.970484 220.4662 BFGS: 3 14:06:51 -144.177600 194.2252 BFGS: 4 14:06:51 -204.101979 118.3466 BFGS: 5 14:06:52 -239.461998 63.8741 BFGS: 6 14:06:52 -246.930683 40.6379 BFGS: 7 14:06:52 -256.774417 22.0940 BFGS: 8 14:06:52 -261.746736 11.2612 BFGS: 9 14:06:52 -263.419198 5.9154 BFGS: 10 14:06:52 -264.149276 4.2732 BFGS: 11 14:06:53 -264.863722 4.9253 BFGS: 12 14:06:53 -265.539344 6.3617 BFGS: 13 14:06:53 -266.247185 7.7594 BFGS: 14 14:06:53 -267.055081 9.1068 BFGS: 15 14:06:53 -268.074994 10.3836 BFGS: 16 14:06:53 -269.503684 11.6068 BFGS: 17 14:06:53 -271.705307 12.7316 BFGS: 18 14:06:54 -275.298422 13.6605 BFGS: 19 14:06:54 -281.182708 14.1925 BFGS: 20 14:06:54 -289.719161 14.2448 BFGS: 21 14:06:54 -299.465362 14.1374 BFGS: 22 14:06:55 -304.507851 20.2624 BFGS: 23 14:06:55 -306.645933 19.6347 BFGS: 24 14:06:56 -308.151617 21.6128 BFGS: 25 14:06:56 -309.631025 21.9649 BFGS: 26 14:06:57 -311.062413 21.9508 BFGS: 27 14:06:57 -312.438621 21.6282 BFGS: 28 14:06:57 -313.749041 21.1190 BFGS: 29 14:06:58 -314.990845 20.4716 BFGS: 30 14:06:58 -316.165765 19.7281 BFGS: 31 14:06:59 -317.278398 18.9189 BFGS: 32 14:06:59 -318.334706 18.0700 BFGS: 33 14:06:59 -319.341269 17.2030 BFGS: 34 14:07:00 -320.304888 16.3366 BFGS: 35 14:07:00 -321.232440 15.4871 BFGS: 36 14:07:00 -322.130854 14.6685 BFGS: 37 14:07:01 -323.006325 13.8871 BFGS: 38 14:07:01 -323.866586 13.1759 BFGS: 39 14:07:01 -324.719660 12.5110 BFGS: 40 14:07:02 -325.571704 11.9198 BFGS: 41 14:07:02 -326.427602 11.3762 BFGS: 42 14:07:02 -327.287353 10.8494 BFGS: 43 14:07:02 -328.162129 10.4184 BFGS: 44 14:07:03 -329.064642 10.0298 BFGS: 45 14:07:03 -330.010710 9.7669 BFGS: 46 14:07:03 -331.026229 9.5200 BFGS: 47 14:07:03 -332.128925 9.4172 BFGS: 48 14:07:04 -333.369454 9.2672 BFGS: 49 14:07:04 -334.760658 9.3380 BFGS: 50 14:07:04 -336.499213 9.0675 BFGS: 51 14:07:05 -338.215601 8.6502 BFGS: 52 14:07:05 -340.927944 10.3774 BFGS: 53 14:07:05 -344.044355 10.6273 BFGS: 54 14:07:05 -349.275308 11.5133 BFGS: 55 14:07:06 -354.340226 11.6379 BFGS: 56 14:07:06 -359.234522 15.8586 BFGS: 57 14:07:07 -363.977820 19.1837 BFGS: 58 14:07:07 -368.667661 21.5838 BFGS: 59 14:07:07 -373.345382 23.0989 BFGS: 60 14:07:07 -377.736891 23.7776 BFGS: 61 14:07:08 -381.097874 23.7617 BFGS: 62 14:07:08 -383.356799 23.3498 BFGS: 63 14:07:08 -385.273086 22.7380 BFGS: 64 14:07:08 -387.119387 21.9722 BFGS: 65 14:07:09 -388.918279 21.0602 BFGS: 66 14:07:09 -390.652757 19.9994 BFGS: 67 14:07:09 -392.298761 18.7944 BFGS: 68 14:07:09 -393.831170 17.4689 BFGS: 69 14:07:10 -395.230449 16.8301 BFGS: 70 14:07:10 -396.488274 16.3650 BFGS: 71 14:07:11 -397.608403 15.8502 BFGS: 72 14:07:11 -398.603641 15.2974 BFGS: 73 14:07:12 -399.493600 14.7278 BFGS: 74 14:07:12 -400.299621 14.1635 BFGS: 75 14:07:13 -401.041736 13.6234 BFGS: 76 14:07:13 -401.738054 13.1172 BFGS: 77 14:07:14 -402.399727 12.6541 BFGS: 78 14:07:14 -403.036938 12.2328 BFGS: 79 14:07:15 -403.657086 11.8804 BFGS: 80 14:07:15 -404.265663 11.8954 BFGS: 81 14:07:16 -404.866661 11.9142 BFGS: 82 14:07:16 -405.463098 11.9385 BFGS: 83 14:07:17 -406.057241 11.9679 BFGS: 84 14:07:17 -406.650877 12.0034 BFGS: 85 14:07:18 -407.245734 12.0447 BFGS: 86 14:07:18 -407.842746 12.0946 BFGS: 87 14:07:19 -408.442598 12.1498 BFGS: 88 14:07:19 -409.045429 12.2088 BFGS: 89 14:07:19 -409.651542 12.2668 BFGS: 90 14:07:20 -410.266520 12.3338 BFGS: 91 14:07:20 -410.896413 12.4214 BFGS: 92 14:07:21 -411.550647 12.5074 BFGS: 93 14:07:21 -412.235946 12.6172 BFGS: 94 14:07:22 -412.963662 12.7280 BFGS: 95 14:07:22 -413.748931 12.8624 BFGS: 96 14:07:22 -414.610221 13.0013 BFGS: 97 14:07:23 -415.572868 13.1620 BFGS: 98 14:07:23 -416.666958 13.3231 BFGS: 99 14:07:23 -417.931829 13.4925 BFGS: 100 14:07:24 -419.411526 13.6441 BFGS: 101 14:07:24 -421.157739 13.7757 BFGS: 102 14:07:25 -423.222452 13.8635 BFGS: 103 14:07:25 -425.655994 13.9062 BFGS: 104 14:07:25 -428.461041 13.9061 BFGS: 105 14:07:25 -431.544560 13.8535 BFGS: 106 14:07:26 -434.539429 13.7559 BFGS: 107 14:07:26 -436.870604 13.5365 BFGS: 108 14:07:26 -438.525040 13.2594 BFGS: 109 14:07:27 -439.822134 12.9630 BFGS: 110 14:07:27 -440.963375 12.6816 BFGS: 111 14:07:27 -442.026346 12.3929 BFGS: 112 14:07:28 -443.044532 12.1184 BFGS: 113 14:07:28 -444.017234 11.8285 BFGS: 114 14:07:28 -444.932908 11.5741 BFGS: 115 14:07:29 -445.801512 11.3020 BFGS: 116 14:07:30 -446.628963 11.0906 BFGS: 117 14:07:30 -447.423213 10.8333 BFGS: 118 14:07:31 -448.186753 10.6784 BFGS: 119 14:07:31 -448.927166 10.4399 BFGS: 120 14:07:31 -449.644957 10.3202 BFGS: 121 14:07:32 -450.347570 10.1233 BFGS: 122 14:07:32 -451.032725 10.0249 BFGS: 123 14:07:32 -451.705509 9.8748 BFGS: 124 14:07:33 -452.366411 9.7811 BFGS: 125 14:07:33 -453.017858 9.6700 BFGS: 126 14:07:33 -453.660576 9.5865 BFGS: 127 14:07:34 -454.296034 9.5003 BFGS: 128 14:07:34 -454.925191 9.4414 BFGS: 129 14:07:35 -455.548748 9.8896 BFGS: 130 14:07:35 -456.166773 10.3416 BFGS: 131 14:07:35 -456.781403 10.7974 BFGS: 132 14:07:36 -457.392102 11.2513 BFGS: 133 14:07:36 -457.999414 11.7060 BFGS: 134 14:07:36 -458.603429 12.1602 BFGS: 135 14:07:36 -459.205207 12.6230 BFGS: 136 14:07:36 -459.805308 13.0708 BFGS: 137 14:07:36 -460.402625 13.5278 BFGS: 138 14:07:36 -460.997729 13.9845 BFGS: 139 14:07:37 -461.590055 14.4372 BFGS: 140 14:07:37 -462.181810 14.8921 BFGS: 141 14:07:37 -462.771023 15.3463 BFGS: 142 14:07:38 -463.358164 15.7997 BFGS: 143 14:07:38 -463.943249 16.2521 BFGS: 144 14:07:38 -464.526302 16.7090 BFGS: 145 14:07:39 -465.107617 17.1600 BFGS: 146 14:07:39 -465.686852 17.6101 BFGS: 147 14:07:39 -466.264209 18.0590 BFGS: 148 14:07:39 -466.839606 18.5066 BFGS: 149 14:07:40 -467.413106 18.9529 BFGS: 150 14:07:40 -467.985151 19.3927 BFGS: 151 14:07:41 -468.565097 19.8734 BFGS: 152 14:07:41 -469.147841 20.3533 BFGS: 153 14:07:42 -469.732569 20.8366 BFGS: 154 14:07:42 -470.319193 21.3258 BFGS: 155 14:07:43 -470.906867 21.8176 BFGS: 156 14:07:43 -471.495906 22.3155 BFGS: 157 14:07:44 -472.085811 22.8260 BFGS: 158 14:07:44 -472.676669 23.3453 BFGS: 159 14:07:45 -473.267677 23.8850 BFGS: 160 14:07:45 -473.859104 24.4293 BFGS: 161 14:07:45 -474.449604 24.9810 BFGS: 162 14:07:46 -475.038693 25.5380 BFGS: 163 14:07:46 -475.625773 26.0983 BFGS: 164 14:07:47 -476.211039 26.6550 BFGS: 165 14:07:47 -476.793025 27.2066 BFGS: 166 14:07:48 -477.372558 27.7441 BFGS: 167 14:07:48 -477.950410 28.2837 BFGS: 168 14:07:49 -478.527619 28.7972 BFGS: 169 14:07:49 -479.104342 29.2934 BFGS: 170 14:07:50 -479.680467 29.7690 BFGS: 171 14:07:50 -480.257197 30.2193 BFGS: 172 14:07:51 -480.834698 30.6467 BFGS: 173 14:07:51 -481.413869 31.0477 BFGS: 174 14:07:52 -481.998093 31.4327 BFGS: 175 14:07:52 -482.587697 31.7972 BFGS: 176 14:07:53 -483.182959 32.1341 BFGS: 177 14:07:53 -483.785453 32.4429 BFGS: 178 14:07:53 -484.396563 32.7306 BFGS: 179 14:07:54 -485.016899 33.0023 BFGS: 180 14:07:54 -485.647519 33.2530 BFGS: 181 14:07:55 -486.288776 33.4895 BFGS: 182 14:07:55 -486.940855 33.7128 BFGS: 183 14:07:56 -487.603919 33.9253 BFGS: 184 14:07:57 -488.278075 34.1284 BFGS: 185 14:07:57 -488.963446 34.3234 BFGS: 186 14:07:58 -489.660166 34.5114 BFGS: 187 14:07:59 -490.368411 34.6934 BFGS: 188 14:08:00 -491.088394 34.8700 BFGS: 189 14:08:00 -491.820370 35.0418 BFGS: 190 14:08:01 -492.564630 35.2094 BFGS: 191 14:08:01 -493.321503 35.3731 BFGS: 192 14:08:01 -494.091349 35.5333 BFGS: 193 14:08:02 -494.874826 35.6903 BFGS: 194 14:08:03 -495.672196 35.8444 BFGS: 195 14:08:04 -496.484148 35.9964 BFGS: 196 14:08:05 -497.310664 36.1431 BFGS: 197 14:08:05 -498.152561 36.2911 BFGS: 198 14:08:06 -499.011900 36.4335 BFGS: 199 14:08:06 -499.887313 36.5721 BFGS: 200 14:08:06 -500.779355 36.7100 BFGS: 201 14:08:07 -501.688501 36.8456 BFGS: 202 14:08:07 -502.615280 36.9793 BFGS: 203 14:08:07 -503.560301 37.1126 BFGS: 204 14:08:08 -504.525254 37.2468 BFGS: 205 14:08:08 -505.510246 37.3756 BFGS: 206 14:08:09 -506.515401 37.4967 BFGS: 207 14:08:09 -507.542964 37.6064 BFGS: 208 14:08:10 -508.592259 37.7237 BFGS: 209 14:08:11 -509.663076 37.8359 BFGS: 210 14:08:11 -510.756298 37.9466 BFGS: 211 14:08:12 -511.872549 38.0527 BFGS: 212 14:08:13 -513.012557 38.1565 BFGS: 213 14:08:13 -514.177114 38.2530 BFGS: 214 14:08:14 -515.367303 38.3374 BFGS: 215 14:08:14 -516.584072 38.4221 BFGS: 216 14:08:15 -517.827512 38.4972 BFGS: 217 14:08:15 -519.098988 38.5650 BFGS: 218 14:08:15 -520.398781 38.6249 BFGS: 219 14:08:16 -521.728347 38.6721 BFGS: 220 14:08:16 -523.087518 38.7053 BFGS: 221 14:08:17 -524.477923 38.7265 BFGS: 222 14:08:17 -525.900221 38.7311 BFGS: 223 14:08:18 -527.355484 38.7154 BFGS: 224 14:08:18 -528.844768 38.6822 BFGS: 225 14:08:18 -530.369379 38.6225 BFGS: 226 14:08:19 -531.929082 38.5387 BFGS: 227 14:08:19 -533.525085 38.4249 BFGS: 228 14:08:20 -535.157737 38.2763 BFGS: 229 14:08:20 -536.827479 38.0877 BFGS: 230 14:08:21 -538.534353 37.8531 BFGS: 231 14:08:21 -540.278085 37.5656 BFGS: 232 14:08:21 -542.057878 37.2173 BFGS: 233 14:08:22 -543.872297 36.7994 BFGS: 234 14:08:22 -545.719082 36.3024 BFGS: 235 14:08:22 -547.594918 35.7170 BFGS: 236 14:08:23 -549.494621 35.0381 BFGS: 237 14:08:23 -551.384036 34.3269 BFGS: 238 14:08:24 -553.254311 33.6190 BFGS: 239 14:08:24 -555.099468 32.9104 BFGS: 240 14:08:24 -556.907259 32.2294 BFGS: 241 14:08:25 -558.677293 31.5808 BFGS: 242 14:08:26 -560.411921 30.9663 BFGS: 243 14:08:26 -562.116190 30.3832 BFGS: 244 14:08:26 -563.796122 29.8261 BFGS: 245 14:08:27 -565.457754 29.2883 BFGS: 246 14:08:27 -567.106659 28.7631 BFGS: 247 14:08:28 -568.747488 28.2420 BFGS: 248 14:08:28 -570.382148 27.7220 BFGS: 249 14:08:29 -572.010587 27.2029 BFGS: 250 14:08:29 -573.632667 26.6829 BFGS: 251 14:08:30 -575.250201 26.1610 BFGS: 252 14:08:30 -576.858991 25.6335 BFGS: 253 14:08:30 -578.459335 25.2354 BFGS: 254 14:08:31 -580.049298 25.5431 BFGS: 255 14:08:31 -581.627270 25.8370 BFGS: 256 14:08:32 -583.190640 26.1225 BFGS: 257 14:08:32 -584.736415 26.4221 BFGS: 258 14:08:33 -586.261136 26.6615 BFGS: 259 14:08:33 -587.766160 26.8844 BFGS: 260 14:08:34 -589.248550 27.0982 BFGS: 261 14:08:34 -590.707459 27.2950 BFGS: 262 14:08:34 -592.142372 27.4684 BFGS: 263 14:08:35 -593.551488 27.6185 BFGS: 264 14:08:35 -594.935923 27.7529 BFGS: 265 14:08:36 -596.296579 27.8751 BFGS: 266 14:08:36 -597.635227 27.9837 BFGS: 267 14:08:37 -598.952774 28.0882 BFGS: 268 14:08:38 -600.251814 28.1909 BFGS: 269 14:08:38 -601.532034 28.2775 BFGS: 270 14:08:39 -602.796261 28.3604 BFGS: 271 14:08:40 -604.045584 28.4438 BFGS: 272 14:08:40 -605.282543 28.5309 BFGS: 273 14:08:41 -606.507196 28.6091 BFGS: 274 14:08:41 -607.721977 28.6877 BFGS: 275 14:08:41 -608.927825 28.7669 BFGS: 276 14:08:42 -610.126133 28.8479 BFGS: 277 14:08:43 -611.317976 28.9312 BFGS: 278 14:08:43 -612.504546 29.0183 BFGS: 279 14:08:44 -613.687365 29.1086 BFGS: 280 14:08:44 -614.866635 29.2019 BFGS: 281 14:08:45 -616.043628 29.2975 BFGS: 282 14:08:45 -617.218838 29.3980 BFGS: 283 14:08:46 -618.393743 29.5004 BFGS: 284 14:08:46 -619.569244 29.6145 BFGS: 285 14:08:46 -620.747417 29.7242 BFGS: 286 14:08:47 -621.927964 29.8442 BFGS: 287 14:08:47 -623.113899 29.9583 BFGS: 288 14:08:48 -624.304826 30.0694 BFGS: 289 14:08:48 -625.504576 30.1960 BFGS: 290 14:08:49 -626.711829 30.3231 BFGS: 291 14:08:49 -627.930206 30.4579 BFGS: 292 14:08:50 -629.160313 30.5965 BFGS: 293 14:08:50 -630.405409 30.7531 BFGS: 294 14:08:50 -631.666931 30.9092 BFGS: 295 14:08:51 -632.948348 31.0717 BFGS: 296 14:08:51 -634.251252 31.2431 BFGS: 297 14:08:52 -635.577723 31.4304 BFGS: 298 14:08:52 -636.928958 31.6130 BFGS: 299 14:08:53 -638.307214 31.8045 BFGS: 300 14:08:54 -639.714432 32.0068 BFGS: 301 14:08:54 -641.151567 32.2155 BFGS: 302 14:08:55 -642.621782 32.4496 BFGS: 303 14:08:55 -644.126624 32.6753 BFGS: 304 14:08:56 -645.667371 32.9090 BFGS: 305 14:08:56 -647.245307 33.1506 BFGS: 306 14:08:56 -648.861932 33.4066 BFGS: 307 14:08:57 -650.520581 33.6604 BFGS: 308 14:08:58 -652.219643 33.9277 BFGS: 309 14:08:58 -653.957638 34.1891 BFGS: 310 14:08:59 -655.737928 34.4588 BFGS: 311 14:09:00 -657.557692 34.7261 BFGS: 312 14:09:00 -659.418542 34.9981 BFGS: 313 14:09:01 -661.317499 35.2650 BFGS: 314 14:09:01 -663.255154 35.5327 BFGS: 315 14:09:02 -665.227824 35.7917 BFGS: 316 14:09:02 -667.235222 36.0475 BFGS: 317 14:09:02 -669.272907 36.2932 BFGS: 318 14:09:03 -671.341132 36.5273 BFGS: 319 14:09:04 -673.432999 36.7453 BFGS: 320 14:09:04 -675.547316 36.9528 BFGS: 321 14:09:05 -677.677860 37.1373 BFGS: 322 14:09:05 -679.823842 37.3096 BFGS: 323 14:09:06 -681.977891 37.4538 BFGS: 324 14:09:07 -684.141054 37.5870 BFGS: 325 14:09:07 -686.304555 37.6859 BFGS: 326 14:09:08 -688.474249 37.7922 BFGS: 327 14:09:08 -690.639292 37.8449 BFGS: 328 14:09:09 -692.818918 37.9386 BFGS: 329 14:09:09 -695.021094 38.3971 BFGS: 330 14:09:10 -697.217370 38.3743 BFGS: 331 14:09:10 -699.414020 38.3213 BFGS: 332 14:09:11 -701.586389 38.2030 BFGS: 333 14:09:12 -703.684547 37.9646 BFGS: 334 14:09:12 -705.697879 37.7048 BFGS: 335 14:09:12 -707.670843 37.4894 BFGS: 336 14:09:12 -709.604597 37.2231 BFGS: 337 14:09:13 -711.521027 36.9607 BFGS: 338 14:09:14 -713.425623 36.7032 BFGS: 339 14:09:15 -715.322472 36.4276 BFGS: 340 14:09:15 -717.218286 36.1581 BFGS: 341 14:09:16 -719.113611 35.8836 BFGS: 342 14:09:17 -721.012785 35.6072 BFGS: 343 14:09:17 -722.915914 35.3271 BFGS: 344 14:09:17 -724.824482 35.0426 BFGS: 345 14:09:18 -726.739493 34.7577 BFGS: 346 14:09:18 -728.660700 34.4588 BFGS: 347 14:09:19 -730.590426 34.1523 BFGS: 348 14:09:19 -732.528556 33.8337 BFGS: 349 14:09:20 -734.476498 33.5250 BFGS: 350 14:09:21 -736.434591 33.1863 BFGS: 351 14:09:21 -738.404833 32.8403 BFGS: 352 14:09:21 -740.386038 32.4743 BFGS: 353 14:09:22 -742.378569 32.1020 BFGS: 354 14:09:22 -744.383508 31.7078 BFGS: 355 14:09:23 -746.401866 31.3025 BFGS: 356 14:09:23 -748.419436 30.8711 BFGS: 357 14:09:24 -750.370104 30.4427 BFGS: 358 14:09:24 -752.256942 30.0104 BFGS: 359 14:09:25 -754.083659 29.5774 BFGS: 360 14:09:25 -755.853235 29.1458 BFGS: 361 14:09:26 -757.569477 28.7311 BFGS: 362 14:09:26 -759.236303 28.3270 BFGS: 363 14:09:26 -760.855354 27.9103 BFGS: 364 14:09:27 -762.429402 27.4912 BFGS: 365 14:09:27 -763.962534 27.0825 BFGS: 366 14:09:28 -765.456338 26.6634 BFGS: 367 14:09:28 -766.916551 26.2553 BFGS: 368 14:09:29 -768.347610 25.8404 BFGS: 369 14:09:29 -769.751364 25.4455 BFGS: 370 14:09:30 -771.128072 25.0405 BFGS: 371 14:09:30 -772.480288 24.6379 BFGS: 372 14:09:31 -773.810961 24.2332 BFGS: 373 14:09:31 -775.123293 23.8366 BFGS: 374 14:09:32 -776.419137 23.4330 BFGS: 375 14:09:32 -777.700857 23.0324 BFGS: 376 14:09:33 -778.969244 22.6294 BFGS: 377 14:09:34 -780.225725 22.2256 BFGS: 378 14:09:35 -781.473174 21.8211 BFGS: 379 14:09:35 -782.714047 21.4118 BFGS: 380 14:09:36 -783.949442 20.9995 BFGS: 381 14:09:36 -785.178637 20.5818 BFGS: 382 14:09:37 -786.335148 20.1349 BFGS: 383 14:09:37 -787.512742 19.7096 BFGS: 384 14:09:37 -788.657159 19.3044 BFGS: 385 14:09:38 -789.754439 18.9287 BFGS: 386 14:09:38 -790.808401 18.5825 BFGS: 387 14:09:39 -791.831569 18.2676 BFGS: 388 14:09:39 -792.841650 17.9654 BFGS: 389 14:09:40 -793.847791 17.6824 BFGS: 390 14:09:40 -794.858551 17.4046 BFGS: 391 14:09:40 -795.881044 17.1385 BFGS: 392 14:09:41 -796.920963 16.8720 BFGS: 393 14:09:41 -797.982961 16.6979 BFGS: 394 14:09:42 -799.074423 16.6948 BFGS: 395 14:09:42 -800.193799 16.6930 BFGS: 396 14:09:43 -801.348649 16.7049 BFGS: 397 14:09:43 -802.543338 16.7188 BFGS: 398 14:09:43 -803.786383 16.7529 BFGS: 399 14:09:44 -805.079837 16.7851 BFGS: 400 14:09:44 -806.434949 16.8514 BFGS: 401 14:09:44 -807.856985 16.9056 BFGS: 402 14:09:45 -809.358954 16.9936 BFGS: 403 14:09:45 -810.943496 17.0865 BFGS: 404 14:09:45 -812.630672 17.2146 BFGS: 405 14:09:45 -814.412114 17.3378 BFGS: 406 14:09:45 -816.324571 17.5287 BFGS: 407 14:09:45 -818.353330 17.7132 BFGS: 408 14:09:46 -820.567827 17.9857 BFGS: 409 14:09:46 -822.889172 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14:12:20 -1740.649400 53.4418 BFGS: 712 14:12:20 -1744.375493 54.1642 BFGS: 713 14:12:21 -1748.186802 54.8467 BFGS: 714 14:12:22 -1752.109492 55.5489 BFGS: 715 14:12:23 -1756.078333 56.2061 BFGS: 716 14:12:23 -1760.128545 56.8899 BFGS: 717 14:12:24 -1764.193667 57.5525 BFGS: 718 14:12:25 -1768.326479 58.2475 BFGS: 719 14:12:25 -1772.402383 58.8942 BFGS: 720 14:12:25 -1776.625590 59.6364 BFGS: 721 14:12:26 -1780.586121 60.1405 BFGS: 722 14:12:27 -1784.007290 60.2584 BFGS: 723 14:12:28 -1788.513592 60.9017 BFGS: 724 14:12:28 -1792.642796 61.3643 BFGS: 725 14:12:29 -1796.812460 61.7940 BFGS: 726 14:12:29 -1800.875723 62.1438 BFGS: 727 14:12:30 -1804.840064 62.4627 BFGS: 728 14:12:31 -1808.448655 62.5491 BFGS: 729 14:12:32 -1815.380338 61.9239 BFGS: 730 14:12:32 -1821.505274 61.5095 BFGS: 731 14:12:33 -1827.501525 61.1801 BFGS: 732 14:12:34 -1833.492974 60.8160 BFGS: 733 14:12:34 -1839.506972 60.4059 BFGS: 734 14:12:35 -1845.563545 59.9419 BFGS: 735 14:12:36 -1851.650948 59.4195 BFGS: 736 14:12:36 -1857.778897 58.8321 BFGS: 737 14:12:37 -1863.952552 58.1698 BFGS: 738 14:12:37 -1870.200045 57.4233 BFGS: 739 14:12:38 -1876.495364 56.5916 BFGS: 740 14:12:38 -1882.876729 55.6463 BFGS: 741 14:12:39 -1889.297811 54.6227 BFGS: 742 14:12:40 -1895.846837 53.4474 BFGS: 743 14:12:40 -1902.454614 52.1612 BFGS: 744 14:12:41 -1909.204568 50.7154 BFGS: 745 14:12:41 -1916.056851 49.1519 BFGS: 746 14:12:41 -1923.065277 47.4512 BFGS: 747 14:12:42 -1930.228634 45.6367 BFGS: 748 14:12:42 -1937.001711 43.8775 BFGS: 749 14:12:43 -1943.325011 42.2284 BFGS: 750 14:12:43 -1949.329620 40.7095 BFGS: 751 14:12:44 -1955.096337 39.3368 BFGS: 752 14:12:45 -1960.663623 38.1211 BFGS: 753 14:12:45 -1966.110420 37.0752 BFGS: 754 14:12:46 -1971.476351 36.4332 BFGS: 755 14:12:47 -1976.827047 37.7702 BFGS: 756 14:12:47 -1982.166157 39.0513 BFGS: 757 14:12:48 -1987.540719 40.2776 BFGS: 758 14:12:49 -1992.954936 41.4204 BFGS: 759 14:12:49 -1998.434702 42.4846 BFGS: 760 14:12:50 -2003.978343 43.4470 BFGS: 761 14:12:50 -2009.618779 44.3013 BFGS: 762 14:12:51 -2015.001806 44.9574 BFGS: 763 14:12:51 -2020.102615 45.4719 BFGS: 764 14:12:52 -2024.963757 45.7409 BFGS: 765 14:12:53 -2029.597703 45.9150 BFGS: 766 14:12:53 -2034.036191 45.8661 BFGS: 767 14:12:54 -2038.296060 45.6263 BFGS: 768 14:12:55 -2042.385982 45.1466 BFGS: 769 14:12:55 -2046.332160 44.4289 BFGS: 770 14:12:56 -2050.147320 43.3798 BFGS: 771 14:12:56 -2053.880950 42.0171 BFGS: 772 14:12:57 -2057.564852 40.2429 BFGS: 773 14:12:57 -2061.224537 37.9619 BFGS: 774 14:12:58 -2064.858172 35.1628 BFGS: 775 14:12:59 -2067.792559 32.5746 BFGS: 776 14:12:59 -2070.341096 31.1978 BFGS: 777 14:13:00 -2072.683426 30.4260 BFGS: 778 14:13:00 -2074.921697 29.6005 BFGS: 779 14:13:01 -2077.074850 28.7178 BFGS: 780 14:13:02 -2079.172875 27.7852 BFGS: 781 14:13:02 -2081.220185 26.8038 BFGS: 782 14:13:03 -2083.213233 26.8204 BFGS: 783 14:13:03 -2085.162736 27.1340 BFGS: 784 14:13:04 -2087.025953 27.4003 BFGS: 785 14:13:05 -2088.845864 27.5721 BFGS: 786 14:13:05 -2090.576118 27.6672 BFGS: 787 14:13:06 -2092.224391 27.6594 BFGS: 788 14:13:06 -2093.780234 27.5462 BFGS: 789 14:13:07 -2095.246904 27.3089 BFGS: 790 14:13:07 -2096.626624 26.9338 BFGS: 791 14:13:08 -2097.935470 26.4038 BFGS: 792 14:13:09 -2099.202901 28.0185 BFGS: 793 14:13:09 -2100.545662 30.7921 BFGS: 794 14:13:10 -2102.188512 34.2519 BFGS: 795 14:13:10 -2103.792546 35.2025 BFGS: 796 14:13:11 -2105.627595 34.2629 BFGS: 797 14:13:12 -2106.946544 32.7901 BFGS: 798 14:13:13 -2107.913638 31.4455 BFGS: 799 14:13:13 -2108.729473 30.3400 BFGS: 800 14:13:14 -2109.321738 30.0201 BFGS: 801 14:13:15 -2110.148596 30.0896 BFGS: 802 14:13:16 -2110.763182 31.0601 BFGS: 803 14:13:17 -2111.543515 33.3781 BFGS: 804 14:13:17 -2112.476974 36.5955 BFGS: 805 14:13:18 -2113.187743 37.9687 BFGS: 806 14:13:19 -2113.694734 38.3023 BFGS: 807 14:13:20 -2114.086057 38.0549 BFGS: 808 14:13:21 -2114.361859 37.5636 BFGS: 809 14:13:21 -2114.535936 36.8081 BFGS: 810 14:13:22 -2114.616376 35.9246 BFGS: 811 14:13:23 -2114.641093 35.4643 BFGS: 812 14:13:23 -2114.715326 34.1822 BFGS: 813 14:13:24 -2114.816558 32.6615 BFGS: 814 14:13:24 -2114.958825 30.9361 BFGS: 815 14:13:25 -2115.050500 30.3557 BFGS: 816 14:13:25 -2115.090233 30.7638 BFGS: 817 14:13:25 -2115.108674 31.3000 BFGS: 818 14:13:26 -2115.124633 31.7360 BFGS: 819 14:13:26 -2115.142779 31.9559 BFGS: 820 14:13:27 -2115.167018 31.8672 BFGS: 821 14:13:28 -2115.201492 31.4176 BFGS: 822 14:13:29 -2115.246255 30.6682 BFGS: 823 14:13:30 -2115.292797 29.9487 BFGS: 824 14:13:30 -2115.331298 29.6051 BFGS: 825 14:13:31 -2115.366301 29.6168 BFGS: 826 14:13:32 -2115.415681 29.7974 BFGS: 827 14:13:32 -2115.506618 30.0359 BFGS: 828 14:13:33 -2115.682317 30.1591 BFGS: 829 14:13:34 -2115.972804 29.8338 BFGS: 830 14:13:34 -2116.347672 28.8441 BFGS: 831 14:13:35 -2116.653898 27.7019 BFGS: 832 14:13:35 -2116.809933 27.2373 BFGS: 833 14:13:36 -2116.877229 27.6653 BFGS: 834 14:13:37 -2116.912370 28.5309 BFGS: 835 14:13:37 -2116.929359 29.2598 BFGS: 836 14:13:38 -2116.939801 29.6667 BFGS: 837 14:13:39 -2116.954681 30.0060 BFGS: 838 14:13:40 -2116.985549 30.3694 BFGS: 839 14:13:40 -2117.058118 30.7527 BFGS: 840 14:13:41 -2117.210820 30.9384 BFGS: 841 14:13:41 -2117.463281 30.3829 BFGS: 842 14:13:42 -2117.719400 28.7595 BFGS: 843 14:13:42 -2117.836611 27.2828 BFGS: 844 14:13:43 -2117.867428 26.7991 BFGS: 845 14:13:44 -2117.883022 26.7075 BFGS: 846 14:13:44 -2117.909972 26.7042 BFGS: 847 14:13:44 -2117.947778 26.7749 BFGS: 848 14:13:45 -2117.982090 26.9009 BFGS: 849 14:13:46 -2117.999130 26.9596 BFGS: 850 14:13:47 -2118.003605 26.9465 BFGS: 851 14:13:48 -2118.005086 26.9123 BFGS: 852 14:13:49 -2118.005872 26.8753 BFGS: 853 14:13:49 -2118.006170 26.8563 BFGS: 854 14:13:50 -2118.006401 26.8331 BFGS: 855 14:13:51 -2118.006451 26.8325 BFGS: 856 14:13:52 -2118.006701 26.8435 BFGS: 857 14:13:53 -2118.007095 26.8597 BFGS: 858 14:13:53 -2118.007995 26.8869 BFGS: 859 14:13:54 -2118.011285 26.9577 BFGS: 860 14:13:55 -2118.018834 27.0700 BFGS: 861 14:13:55 -2118.037483 27.2368 BFGS: 862 14:13:56 -2118.092550 27.5461 BFGS: 863 14:13:57 -2118.230649 28.0036 BFGS: 864 14:13:58 -2118.592504 28.7043 BFGS: 865 14:13:58 -2119.381308 29.3523 BFGS: 866 14:13:59 -2120.728341 29.6330 BFGS: 867 14:14:00 -2122.816086 29.4032 BFGS: 868 14:14:00 -2125.793726 28.5173 BFGS: 869 14:14:01 -2129.817740 26.7794 BFGS: 870 14:14:02 -2135.084856 24.2951 BFGS: 871 14:14:03 -2142.235813 20.5293 BFGS: 872 14:14:04 -2146.860979 18.4853 BFGS: 873 14:14:04 -2149.477788 15.7979 BFGS: 874 14:14:05 -2151.009422 15.7060 BFGS: 875 14:14:06 -2151.610115 17.5831 BFGS: 876 14:14:06 -2151.737744 17.9761 BFGS: 877 14:14:07 -2151.783785 17.5904 BFGS: 878 14:14:08 -2151.805214 17.1520 BFGS: 879 14:14:09 -2151.813258 16.7606 BFGS: 880 14:14:09 -2151.816207 16.7037 BFGS: 881 14:14:10 -2151.817750 16.6570 BFGS: 882 14:14:10 -2151.818333 16.6251 BFGS: 883 14:14:11 -2151.820811 16.5828 BFGS: 884 14:14:11 -2151.827184 16.5177 BFGS: 885 14:14:12 -2151.841656 16.4466 BFGS: 886 14:14:13 -2151.879245 16.2985 BFGS: 887 14:14:13 -2151.974583 16.2740 BFGS: 888 14:14:14 -2152.201331 15.8052 BFGS: 889 14:14:15 -2152.681429 15.6682 BFGS: 890 14:14:15 -2153.317082 15.5222 BFGS: 891 14:14:16 -2154.103726 15.1985 BFGS: 892 14:14:16 -2155.017056 14.7192 BFGS: 893 14:14:17 -2156.031259 14.1034 BFGS: 894 14:14:17 -2157.141799 13.3382 BFGS: 895 14:14:18 -2158.327814 12.4216 BFGS: 896 14:14:18 -2159.567025 11.5045 BFGS: 897 14:14:19 -2160.860033 10.9332 BFGS: 898 14:14:19 -2162.174148 10.1971 BFGS: 899 14:14:20 -2163.492678 10.1144 BFGS: 900 14:14:21 -2164.752443 10.2759 BFGS: 901 14:14:21 -2165.947315 10.4732 BFGS: 902 14:14:22 -2167.021455 10.7207 BFGS: 903 14:14:23 -2167.733314 11.0919 BFGS: 904 14:14:23 -2167.794262 11.1124 BFGS: 905 14:14:24 -2167.805829 11.1177 BFGS: 906 14:14:25 -2167.813358 11.0708 BFGS: 907 14:14:26 -2167.815331 11.0595 BFGS: 908 14:14:27 -2167.816360 11.0600 BFGS: 909 14:14:27 -2167.816980 11.0498 BFGS: 910 14:14:28 -2167.817414 11.0498 BFGS: 911 14:14:28 -2167.817626 11.0453 BFGS: 912 14:14:29 -2167.817769 11.0439 BFGS: 913 14:14:29 -2167.817815 11.0383 BFGS: 914 14:14:30 -2167.817847 11.0333 BFGS: 915 14:14:31 -2167.817856 11.0315 BFGS: 916 14:14:31 -2167.817913 11.0252 BFGS: 917 14:14:32 -2167.818019 11.0183 BFGS: 918 14:14:32 -2167.818332 11.0057 BFGS: 919 14:14:33 -2167.819112 10.9869 BFGS: 920 14:14:34 -2167.821189 10.9564 BFGS: 921 14:14:34 -2167.826590 10.9086 BFGS: 922 14:14:35 -2167.840771 10.8338 BFGS: 923 14:14:35 -2167.877888 10.7199 BFGS: 924 14:14:35 -2167.975282 10.5538 BFGS: 925 14:14:36 -2168.230817 10.3361 BFGS: 926 14:14:37 -2168.891927 10.0810 BFGS: 927 14:14:37 -2170.591095 9.5541 BFGS: 928 14:14:38 -2172.613953 10.1115 BFGS: 929 14:14:38 -2174.244668 11.0427 BFGS: 930 14:14:38 -2175.810930 11.0356 BFGS: 931 14:14:39 -2177.374518 10.2890 BFGS: 932 14:14:39 -2178.927801 8.8777 BFGS: 933 14:14:40 -2180.488518 6.5750 BFGS: 934 14:14:41 -2181.892322 3.0233 BFGS: 935 14:14:42 -2182.547162 1.6979 BFGS: 936 14:14:42 -2182.648581 1.5322 BFGS: 937 14:14:43 -2182.774725 1.6359 BFGS: 938 14:14:43 -2182.812460 0.8435 BFGS: 939 14:14:44 -2182.849707 0.5912 BFGS: 940 14:14:45 -2182.878551 0.3736 BFGS: 941 14:14:46 -2182.889541 0.3383 BFGS: 942 14:14:46 -2182.914358 0.5578 BFGS: 943 14:14:47 -2182.798547 2.5871 BFGS: 944 14:14:47 -2183.036978 1.1144 BFGS: 945 14:14:48 -2183.445636 1.5082 BFGS: 946 14:14:49 -2184.759715 2.7249 BFGS: 947 14:14:49 -2187.105147 4.3176 BFGS: 948 14:14:50 -2190.570712 5.7138 BFGS: 949 14:14:51 -2194.895414 7.2740 BFGS: 950 14:14:51 -2199.741339 8.5783 BFGS: 951 14:14:52 -2204.772464 9.4394 BFGS: 952 14:14:52 -2209.714623 9.7825 BFGS: 953 14:14:53 -2214.455443 9.6948 BFGS: 954 14:14:53 -2218.919566 9.2722 BFGS: 955 14:14:54 -2222.637782 8.4148 BFGS: 956 14:14:54 -2226.349531 7.5192 BFGS: 957 14:14:55 -2229.216251 5.8799 BFGS: 958 14:14:55 -2231.610440 6.3794 BFGS: 959 14:14:56 -2233.143915 4.1565 BFGS: 960 14:14:57 -2234.390214 4.9213 BFGS: 961 14:14:58 -2235.172150 4.1526 BFGS: 962 14:14:58 -2235.970070 3.2199 BFGS: 963 14:14:58 -2236.742874 3.2081 BFGS: 964 14:14:59 -2237.272265 2.8510 BFGS: 965 14:14:59 -2237.486499 1.5160 BFGS: 966 14:15:00 -2237.560042 1.0980 BFGS: 967 14:15:00 -2237.595753 0.5235 BFGS: 968 14:15:01 -2237.608657 0.3796 BFGS: 969 14:15:01 -2237.615053 0.2057 BFGS: 970 14:15:02 -2237.616608 0.1685 BFGS: 971 14:15:02 -2237.617681 0.1296 BFGS: 972 14:15:03 -2237.618923 0.1039 BFGS: 973 14:15:03 -2237.619294 0.0862 BFGS: 974 14:15:04 -2237.619486 0.0487 BFGS: 975 14:15:05 -2237.619567 0.0302 BFGS: 976 14:15:05 -2237.619597 0.0197 BFGS: 977 14:15:06 -2237.619607 0.0107 BFGS: 978 14:15:07 -2237.619610 0.0041 BFGS: 979 14:15:08 -2237.619611 0.0012 BFGS: 980 14:15:08 -2237.619611 0.0004 BFGS: 981 14:15:09 -2237.619611 0.0001 BFGS: 982 14:15:10 -2237.619611 0.0000 BFGS: 983 14:15:10 -2237.619611 0.0000 BFGS: 984 14:15:11 -2237.619611 0.0000 BFGS: 985 14:15:12 -2237.619611 0.0000 BFGS: 986 14:15:13 -2237.619611 0.0000 BFGS: 987 14:15:13 -2237.619611 0.0000 BFGS: 988 14:15:14 -2237.619611 0.0000 BFGS: 989 14:15:15 -2237.619611 0.0000 Minimization converged after 989 steps. Maximum force component: 3.5958266739351524e-09 eV/Angstrom Maximum stress component: 1.42861528139697e-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', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] basis = [[0.29229365 0.88129995 0.83613475] [0.20770635 0.11870005 0.33613475] [0.70770635 0.38129995 0.66386525] [0.79229365 0.61870005 0.16386525] [0.70770635 0.11870005 0.16386525] [0.79229365 0.88129995 0.66386525] [0.29229365 0.61870005 0.33613475] [0.20770635 0.38129995 0.83613475] [0.45756126 0.01646771 0.65077263] [0.04243874 0.98353229 0.15077263] [0.54243874 0.51646771 0.84922737] [0.95756126 0.48353229 0.34922737] [0.54243874 0.98353229 0.34922737] [0.95756126 0.01646771 0.84922737] [0.45756126 0.48353229 0.15077263] [0.04243874 0.51646771 0.65077263] [0.57393036 0.73648574 0.87048856] [0.92606964 0.26351426 0.37048856] [0.42606964 0.23648574 0.62951144] [0.07393036 0.76351426 0.12951144] [0.42606964 0.26351426 0.12951144] [0.07393036 0.73648574 0.62951144] [0.57393036 0.76351426 0.37048856] [0.92606964 0.23648574 0.87048856] [0.61932911 0.12435608 0.82530319] [0.88067089 0.87564392 0.32530319] [0.38067089 0.62435608 0.67469681] [0.11932911 0.37564392 0.17469681] [0.38067089 0.87564392 0.17469681] [0.11932911 0.12435608 0.67469681] [0.61932911 0.37564392 0.32530319] [0.88067089 0.62435608 0.82530319] [0.81792007 0.62740048 0.49501661] [0.68207993 0.37259952 0.99501661] [0.18207993 0.12740048 0.00498339] [0.31792007 0.87259952 0.50498339] [0.18207993 0.37259952 0.50498339] [0.31792007 0.62740048 0.00498339] [0.81792007 0.87259952 0.99501661] [0.68207993 0.12740048 0.49501661]] cellpar = Cell([[2.5336455643993934, 2.0868775949854414e-36, 0.0], [1.6699637653223924e-35, 4.744552615180171, 0.0], [0.0, 0.0, 4.204538381815004]]) forces = [[ 2.10757042e-09 -1.06746440e-10 1.35612430e-10] [-2.10757042e-09 1.06746440e-10 1.35612430e-10] [-2.10757042e-09 -1.06746440e-10 -1.35612430e-10] [ 2.10757042e-09 1.06746440e-10 -1.35612430e-10] [-2.10757042e-09 1.06746440e-10 -1.35612430e-10] [ 2.10757042e-09 -1.06746440e-10 -1.35612430e-10] [ 2.10757042e-09 1.06746440e-10 1.35612430e-10] [-2.10757042e-09 -1.06746440e-10 1.35612430e-10] [ 2.08526298e-09 -2.13830109e-09 -8.52223501e-10] [-2.08526298e-09 2.13830109e-09 -8.52223501e-10] [-2.08526298e-09 -2.13830109e-09 8.52223501e-10] [ 2.08526298e-09 2.13830109e-09 8.52223501e-10] [-2.08526298e-09 2.13830109e-09 8.52223501e-10] [ 2.08526298e-09 -2.13830109e-09 8.52223501e-10] [ 2.08526298e-09 2.13830109e-09 -8.52223501e-10] [-2.08526298e-09 -2.13830109e-09 -8.52223501e-10] [ 2.28902041e-09 -3.59582667e-09 9.48566832e-10] [-2.28902041e-09 3.59582667e-09 9.48566832e-10] [-2.28902041e-09 -3.59582667e-09 -9.48566832e-10] [ 2.28902041e-09 3.59582667e-09 -9.48566832e-10] [-2.28902041e-09 3.59582667e-09 -9.48566832e-10] [ 2.28902041e-09 -3.59582667e-09 -9.48566832e-10] [ 2.28902041e-09 3.59582667e-09 9.48566832e-10] [-2.28902041e-09 -3.59582667e-09 9.48566832e-10] [-4.45722962e-10 3.59222153e-09 4.84315364e-10] [ 4.45722962e-10 -3.59222153e-09 4.84315364e-10] [ 4.45722962e-10 3.59222153e-09 -4.84315364e-10] [-4.45722962e-10 -3.59222153e-09 -4.84315364e-10] [ 4.45722962e-10 -3.59222153e-09 -4.84315364e-10] [-4.45722962e-10 3.59222153e-09 -4.84315364e-10] [-4.45722962e-10 -3.59222153e-09 4.84315364e-10] [ 4.45722962e-10 3.59222153e-09 4.84315364e-10] [-4.62656626e-10 3.50668263e-09 3.30495623e-09] [ 4.62656626e-10 -3.50668263e-09 3.30495623e-09] [ 4.62656626e-10 3.50668263e-09 -3.30495623e-09] [-4.62656626e-10 -3.50668263e-09 -3.30495623e-09] [ 4.62656626e-10 -3.50668263e-09 -3.30495623e-09] [-4.62656626e-10 3.50668263e-09 -3.30495623e-09] [-4.62656626e-10 -3.50668263e-09 3.30495623e-09] [ 4.62656626e-10 3.50668263e-09 3.30495623e-09]] stress = [-1.18539164e-10 1.42861528e-09 3.39701985e-10 0.00000000e+00 0.00000000e+00 4.19990319e-30] energy per atom = -55.94049026751653 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0