Model name? Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000 Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Runtime arguments (literal dictonary)? No runtime arguments given Initial parameters from query or test_generator (literal list of dicts)? [ { "prototype-label": { "source-value": "A_mC164_15_e20f" }, "stoichiometric-species": { "source-value": [ "Si" ] }, "a": { "source-value": 25.5153, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 0.59626185, 0.38807304, 85.6678, 0.5018589, 0.68877825, 0.96352682, 0.39618647, 0.85290647, 0.066655781, 0.19885487, 0.85161909, 0.93394953, 0.32543919, 0.90872025, 0.95961914, 0.50215183, 0.39194115, 0.3160815, 0.19689941, 0.45947298, 0.2475486, 0.3176402, 0.2268061, 0.13306616, 0.35835738, 0.74433636, 0.76915545, 0.24636872, 0.32359862, 0.22635453, 0.12155393, 0.30617288, 0.092719903, 0.23378721, 0.44585184, 0.099109512, 0.39907312, 0.76670646, 0.88208696, 0.40378522, 0.46313645, 0.74291846, 0.18744694, 0.52487726, 0.65186183, 0.50503416, 0.39433722, 0.67549036, 0.32193311, 0.43434955, 0.610825, 0.50714113, 0.55091352, 0.89443078, 0.35966828, 0.33102234, 0.78459971, 0.3807846, 0.36635198, 0.90960313, 0.26587063, 0.36114403, 0.039715317, 0.39377295 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_896629836997_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 6.261293609478067 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 08:02:19 -134.705725 14.345664 LBFGSLineSearch: 1 08:02:19 -180.084500 9.264070 LBFGSLineSearch: 2 08:02:20 -197.683921 9.179332 LBFGSLineSearch: 3 08:02:20 -207.430371 5.598986 LBFGSLineSearch: 4 08:02:20 -209.878117 5.007488 LBFGSLineSearch: 5 08:02:20 -212.147512 2.684316 LBFGSLineSearch: 6 08:02:20 -213.072858 2.923617 LBFGSLineSearch: 7 08:02:20 -213.880661 3.208378 LBFGSLineSearch: 8 08:02:21 -214.796589 3.069583 LBFGSLineSearch: 9 08:02:21 -215.964378 5.171560 LBFGSLineSearch: 10 08:02:21 -216.825588 2.587729 LBFGSLineSearch: 11 08:02:21 -217.974179 2.265429 LBFGSLineSearch: 12 08:02:21 -220.207250 6.424559 LBFGSLineSearch: 13 08:02:21 -220.914553 5.001532 LBFGSLineSearch: 14 08:02:21 -224.429710 3.316370 LBFGSLineSearch: 15 08:02:21 -225.573511 3.504662 LBFGSLineSearch: 16 08:02:21 -226.421594 1.571012 LBFGSLineSearch: 17 08:02:21 -227.192224 2.144243 LBFGSLineSearch: 18 08:02:21 -227.557892 2.193584 LBFGSLineSearch: 19 08:02:22 -228.319274 1.619287 LBFGSLineSearch: 20 08:02:22 -229.444077 2.509406 LBFGSLineSearch: 21 08:02:23 -230.399515 2.279767 LBFGSLineSearch: 22 08:02:23 -231.251934 1.997751 LBFGSLineSearch: 23 08:02:23 -232.394458 4.156715 LBFGSLineSearch: 24 08:02:23 -232.932274 4.196800 LBFGSLineSearch: 25 08:02:23 -234.100210 3.515300 LBFGSLineSearch: 26 08:02:23 -234.834962 3.389457 LBFGSLineSearch: 27 08:02:24 -235.438363 3.314755 LBFGSLineSearch: 28 08:02:24 -236.000206 1.361555 LBFGSLineSearch: 29 08:02:24 -236.349874 1.390695 LBFGSLineSearch: 30 08:02:24 -236.770508 1.539008 LBFGSLineSearch: 31 08:02:24 -237.542136 2.870174 LBFGSLineSearch: 32 08:02:24 -238.260030 2.320142 LBFGSLineSearch: 33 08:02:24 -238.776438 1.987158 LBFGSLineSearch: 34 08:02:24 -239.074793 1.280691 LBFGSLineSearch: 35 08:02:24 -239.198575 1.688687 LBFGSLineSearch: 36 08:02:24 -239.367639 0.951148 LBFGSLineSearch: 37 08:02:24 -239.545445 1.106786 LBFGSLineSearch: 38 08:02:24 -239.790147 1.178834 LBFGSLineSearch: 39 08:02:24 -240.016277 1.011241 LBFGSLineSearch: 40 08:02:24 -240.303522 0.856696 LBFGSLineSearch: 41 08:02:24 -240.493367 1.130298 LBFGSLineSearch: 42 08:02:25 -240.809863 1.052029 LBFGSLineSearch: 43 08:02:25 -241.222455 1.561993 LBFGSLineSearch: 44 08:02:25 -241.450237 1.784646 LBFGSLineSearch: 45 08:02:25 -241.798434 1.333819 LBFGSLineSearch: 46 08:02:25 -241.999814 0.994133 LBFGSLineSearch: 47 08:02:25 -242.144760 1.137377 LBFGSLineSearch: 48 08:02:25 -242.280448 0.805580 LBFGSLineSearch: 49 08:02:25 -242.442081 0.784491 LBFGSLineSearch: 50 08:02:25 -242.739107 1.228381 LBFGSLineSearch: 51 08:02:25 -243.076649 1.369995 LBFGSLineSearch: 52 08:02:25 -243.361051 0.929731 LBFGSLineSearch: 53 08:02:25 -243.596978 1.191401 LBFGSLineSearch: 54 08:02:25 -243.766901 0.794757 LBFGSLineSearch: 55 08:02:26 -243.890585 0.779640 LBFGSLineSearch: 56 08:02:26 -243.982494 0.629063 LBFGSLineSearch: 57 08:02:26 -244.116021 0.840021 LBFGSLineSearch: 58 08:02:27 -244.281592 0.607374 LBFGSLineSearch: 59 08:02:27 -244.491609 0.754467 LBFGSLineSearch: 60 08:02:27 -244.605408 0.690508 LBFGSLineSearch: 61 08:02:28 -244.723151 0.475772 LBFGSLineSearch: 62 08:02:28 -244.794483 0.790204 LBFGSLineSearch: 63 08:02:28 -244.866125 0.588131 LBFGSLineSearch: 64 08:02:29 -245.007238 0.935064 LBFGSLineSearch: 65 08:02:29 -245.189434 0.888169 LBFGSLineSearch: 66 08:02:29 -245.325228 1.010012 LBFGSLineSearch: 67 08:02:29 -245.478230 0.725669 LBFGSLineSearch: 68 08:02:29 -245.558172 0.599029 LBFGSLineSearch: 69 08:02:29 -245.623110 0.348520 LBFGSLineSearch: 70 08:02:29 -245.667518 0.468077 LBFGSLineSearch: 71 08:02:30 -245.730248 0.599653 LBFGSLineSearch: 72 08:02:30 -245.796038 0.663953 LBFGSLineSearch: 73 08:02:30 -245.890425 0.463288 LBFGSLineSearch: 74 08:02:30 -245.986581 0.678134 LBFGSLineSearch: 75 08:02:31 -246.033165 0.396692 LBFGSLineSearch: 76 08:02:31 -246.061362 0.294818 LBFGSLineSearch: 77 08:02:32 -246.086530 0.348442 LBFGSLineSearch: 78 08:02:32 -246.139357 0.595750 LBFGSLineSearch: 79 08:02:32 -246.210170 0.719496 LBFGSLineSearch: 80 08:02:32 -246.270091 0.534480 LBFGSLineSearch: 81 08:02:32 -246.323154 0.344340 LBFGSLineSearch: 82 08:02:33 -246.342793 0.403324 LBFGSLineSearch: 83 08:02:33 -246.364409 0.460271 LBFGSLineSearch: 84 08:02:34 -246.392586 0.395406 LBFGSLineSearch: 85 08:02:35 -246.426132 0.615453 LBFGSLineSearch: 86 08:02:35 -246.461368 0.497224 LBFGSLineSearch: 87 08:02:35 -246.499341 0.390746 LBFGSLineSearch: 88 08:02:36 -246.538924 0.323702 LBFGSLineSearch: 89 08:02:36 -246.564154 0.313116 LBFGSLineSearch: 90 08:02:37 -246.583898 0.298941 LBFGSLineSearch: 91 08:02:37 -246.611465 0.530044 LBFGSLineSearch: 92 08:02:38 -246.642858 0.246314 LBFGSLineSearch: 93 08:02:38 -246.659901 0.300004 LBFGSLineSearch: 94 08:02:39 -246.669267 0.191208 LBFGSLineSearch: 95 08:02:39 -246.683303 0.343778 LBFGSLineSearch: 96 08:02:40 -246.702236 0.418039 LBFGSLineSearch: 97 08:02:40 -246.715684 0.144492 LBFGSLineSearch: 98 08:02:41 -246.737419 0.467009 LBFGSLineSearch: 99 08:02:42 -246.757131 0.258598 LBFGSLineSearch: 100 08:02:42 -246.765138 0.222327 LBFGSLineSearch: 101 08:02:43 -246.772567 0.212004 LBFGSLineSearch: 102 08:02:44 -246.795363 0.381834 LBFGSLineSearch: 103 08:02:44 -246.827221 0.467489 LBFGSLineSearch: 104 08:02:46 -246.858016 0.454907 LBFGSLineSearch: 105 08:02:46 -246.874926 0.280208 LBFGSLineSearch: 106 08:02:47 -246.890116 0.165097 LBFGSLineSearch: 107 08:02:47 -246.901753 0.168653 LBFGSLineSearch: 108 08:02:48 -246.914730 0.171348 LBFGSLineSearch: 109 08:02:49 -246.932982 0.358469 LBFGSLineSearch: 110 08:02:50 -246.963107 0.420431 LBFGSLineSearch: 111 08:02:51 -246.983236 0.205399 LBFGSLineSearch: 112 08:02:52 -246.997942 0.211178 LBFGSLineSearch: 113 08:02:53 -247.003310 0.147726 LBFGSLineSearch: 114 08:02:54 -247.014255 0.374634 LBFGSLineSearch: 115 08:02:55 -247.036484 0.686453 LBFGSLineSearch: 116 08:02:56 -247.091622 0.429968 LBFGSLineSearch: 117 08:02:57 -247.129794 0.321374 LBFGSLineSearch: 118 08:02:58 -247.150565 0.443964 LBFGSLineSearch: 119 08:02:59 -247.159925 0.281888 LBFGSLineSearch: 120 08:03:00 -247.166324 0.193670 LBFGSLineSearch: 121 08:03:01 -247.172688 0.139858 LBFGSLineSearch: 122 08:03:01 -247.188646 0.351345 LBFGSLineSearch: 123 08:03:02 -247.204953 0.301036 LBFGSLineSearch: 124 08:03:03 -247.229402 0.258232 LBFGSLineSearch: 125 08:03:03 -247.239699 0.277361 LBFGSLineSearch: 126 08:03:03 -247.244667 0.169945 LBFGSLineSearch: 127 08:03:04 -247.252608 0.230012 LBFGSLineSearch: 128 08:03:05 -247.267790 0.409957 LBFGSLineSearch: 129 08:03:06 -247.296281 0.551901 LBFGSLineSearch: 130 08:03:07 -247.315241 0.514060 LBFGSLineSearch: 131 08:03:08 -247.346586 0.477727 LBFGSLineSearch: 132 08:03:09 -247.543887 1.711024 LBFGSLineSearch: 133 08:03:10 -247.556144 1.878384 LBFGSLineSearch: 134 08:03:11 -247.676360 1.268018 LBFGSLineSearch: 135 08:03:11 -247.813601 1.517705 LBFGSLineSearch: 136 08:03:12 -247.921202 1.090196 LBFGSLineSearch: 137 08:03:12 -248.001808 1.276223 LBFGSLineSearch: 138 08:03:13 -248.126843 1.433976 LBFGSLineSearch: 139 08:03:13 -248.233114 1.541143 LBFGSLineSearch: 140 08:03:13 -248.318413 0.867276 LBFGSLineSearch: 141 08:03:14 -248.375850 1.506161 LBFGSLineSearch: 142 08:03:15 -248.438028 0.640561 LBFGSLineSearch: 143 08:03:15 -248.491179 1.336336 LBFGSLineSearch: 144 08:03:16 -248.545684 0.853979 LBFGSLineSearch: 145 08:03:16 -248.645594 1.422215 LBFGSLineSearch: 146 08:03:17 -248.735516 1.526044 LBFGSLineSearch: 147 08:03:17 -248.802118 0.801901 LBFGSLineSearch: 148 08:03:17 -248.846127 0.985028 LBFGSLineSearch: 149 08:03:18 -248.869816 0.443974 LBFGSLineSearch: 150 08:03:18 -248.891245 0.363605 LBFGSLineSearch: 151 08:03:19 -248.910382 0.741950 LBFGSLineSearch: 152 08:03:19 -248.931709 0.467248 LBFGSLineSearch: 153 08:03:20 -248.958112 0.226659 LBFGSLineSearch: 154 08:03:20 -248.990843 0.457375 LBFGSLineSearch: 155 08:03:20 -249.014332 0.352853 LBFGSLineSearch: 156 08:03:21 -249.031994 0.315217 LBFGSLineSearch: 157 08:03:21 -249.041429 0.341396 LBFGSLineSearch: 158 08:03:21 -249.054355 0.193251 LBFGSLineSearch: 159 08:03:21 -249.061566 0.300106 LBFGSLineSearch: 160 08:03:21 -249.068717 0.196539 LBFGSLineSearch: 161 08:03:21 -249.073215 0.193514 LBFGSLineSearch: 162 08:03:22 -249.080159 0.226414 LBFGSLineSearch: 163 08:03:22 -249.096024 0.393378 LBFGSLineSearch: 164 08:03:22 -249.110898 0.213913 LBFGSLineSearch: 165 08:03:22 -249.131006 0.198692 LBFGSLineSearch: 166 08:03:22 -249.138657 0.163981 LBFGSLineSearch: 167 08:03:23 -249.142417 0.089691 LBFGSLineSearch: 168 08:03:23 -249.144043 0.136880 LBFGSLineSearch: 169 08:03:23 -249.145833 0.145410 LBFGSLineSearch: 170 08:03:23 -249.147350 0.054617 LBFGSLineSearch: 171 08:03:24 -249.149899 0.094296 LBFGSLineSearch: 172 08:03:24 -249.152665 0.108343 LBFGSLineSearch: 173 08:03:24 -249.155369 0.106124 LBFGSLineSearch: 174 08:03:24 -249.157069 0.073009 LBFGSLineSearch: 175 08:03:24 -249.158269 0.052204 LBFGSLineSearch: 176 08:03:24 -249.159788 0.077348 LBFGSLineSearch: 177 08:03:24 -249.161895 0.084623 LBFGSLineSearch: 178 08:03:25 -249.164458 0.075270 LBFGSLineSearch: 179 08:03:25 -249.166744 0.069718 LBFGSLineSearch: 180 08:03:25 -249.168522 0.121654 LBFGSLineSearch: 181 08:03:25 -249.170413 0.103408 LBFGSLineSearch: 182 08:03:25 -249.173072 0.158971 LBFGSLineSearch: 183 08:03:26 -249.176809 0.117393 LBFGSLineSearch: 184 08:03:26 -249.180730 0.136001 LBFGSLineSearch: 185 08:03:26 -249.183816 0.110859 LBFGSLineSearch: 186 08:03:26 -249.186486 0.127354 LBFGSLineSearch: 187 08:03:26 -249.190669 0.166536 LBFGSLineSearch: 188 08:03:26 -249.196733 0.220869 LBFGSLineSearch: 189 08:03:27 -249.201851 0.137157 LBFGSLineSearch: 190 08:03:27 -249.205608 0.117734 LBFGSLineSearch: 191 08:03:27 -249.208491 0.136858 LBFGSLineSearch: 192 08:03:27 -249.210766 0.159531 LBFGSLineSearch: 193 08:03:27 -249.212875 0.087419 LBFGSLineSearch: 194 08:03:28 -249.215398 0.130326 LBFGSLineSearch: 195 08:03:28 -249.220728 0.233103 LBFGSLineSearch: 196 08:03:28 -249.225049 0.165935 LBFGSLineSearch: 197 08:03:28 -249.229342 0.336376 LBFGSLineSearch: 198 08:03:28 -249.235090 0.154157 LBFGSLineSearch: 199 08:03:28 -249.238586 0.292452 LBFGSLineSearch: 200 08:03:28 -249.241955 0.139690 The minimization failed to converge. See kim-tools.log for more info