Model name? ThreeBodyBondOrder_PPM_PurjaPunMishin_2017_Si__MO_566683736730_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 0.8322527318520285 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 19:11:47 -367.441300 0.977116 LBFGSLineSearch: 1 19:12:05 -367.474002 0.913018 LBFGSLineSearch: 2 19:12:38 -367.474002 0.913018 LBFGSLineSearch: 3 19:13:13 -367.649329 1.447326 LBFGSLineSearch: 4 19:13:15 -367.649329 1.447326 LBFGSLineSearch: 5 19:13:19 -367.649329 1.447326 LBFGSLineSearch: 6 19:13:27 -367.649329 1.447326 LBFGSLineSearch: 7 19:13:31 -367.649329 1.447326 LBFGSLineSearch: 8 19:13:33 -367.700857 0.422423 LBFGSLineSearch: 9 19:13:39 -367.705910 0.417125 LBFGSLineSearch: 10 19:13:41 -367.705910 0.417125 LBFGSLineSearch: 11 19:13:41 -367.780278 1.155418 LBFGSLineSearch: 12 19:13:42 -367.798131 0.448768 LBFGSLineSearch: 13 19:13:42 -368.658918 0.539230 LBFGSLineSearch: 14 19:13:43 -368.704435 0.227555 LBFGSLineSearch: 15 19:13:49 -368.711091 0.227259 LBFGSLineSearch: 16 19:13:51 -368.711091 0.227259 LBFGSLineSearch: 17 19:13:52 -368.711091 0.227259 LBFGSLineSearch: 18 19:13:52 -368.711091 0.227259 LBFGSLineSearch: 19 19:13:53 -368.711091 0.227259 LBFGSLineSearch: 20 19:13:53 -367.876395 0.602626 LBFGSLineSearch: 21 19:13:53 -367.914383 0.646312 LBFGSLineSearch: 22 19:13:53 -367.950128 0.649375 LBFGSLineSearch: 23 19:13:54 -367.983537 0.432559 LBFGSLineSearch: 24 19:13:54 -368.001952 0.482787 LBFGSLineSearch: 25 19:13:56 -368.001952 0.482787 LBFGSLineSearch: 26 19:13:58 -368.001952 0.482788 LBFGSLineSearch: 27 19:13:59 -368.001952 0.482788 LBFGSLineSearch: 28 19:14:00 -368.001952 0.482788 LBFGSLineSearch: 29 19:14:00 -368.001952 0.482788 LBFGSLineSearch: 30 19:14:00 -368.001952 0.482788 LBFGSLineSearch: 31 19:14:00 -367.174340 0.799137 LBFGSLineSearch: 32 19:14:00 -367.217103 0.674715 LBFGSLineSearch: 33 19:14:01 -367.226537 0.696226 LBFGSLineSearch: 34 19:14:01 -367.248851 0.669749 LBFGSLineSearch: 35 19:14:01 -367.258335 0.664652 LBFGSLineSearch: 36 19:14:01 -367.261885 0.661602 LBFGSLineSearch: 37 19:14:01 -367.265940 0.668705 LBFGSLineSearch: 38 19:14:01 -367.272862 0.685792 LBFGSLineSearch: 39 19:14:01 -367.280946 0.671551 LBFGSLineSearch: 40 19:14:02 -367.283831 0.664262 LBFGSLineSearch: 41 19:14:02 -367.287661 0.657670 LBFGSLineSearch: 42 19:14:02 -367.289456 0.669437 LBFGSLineSearch: 43 19:14:02 -367.292021 0.671580 LBFGSLineSearch: 44 19:14:02 -367.293917 0.652318 LBFGSLineSearch: 45 19:14:03 -367.294983 0.651792 LBFGSLineSearch: 46 19:14:03 -367.296530 0.671994 LBFGSLineSearch: 47 19:14:03 -367.297385 0.655016 LBFGSLineSearch: 48 19:14:03 -367.299012 0.668756 LBFGSLineSearch: 49 19:14:03 -367.301504 0.649425 LBFGSLineSearch: 50 19:14:03 -367.302720 0.640171 LBFGSLineSearch: 51 19:14:04 -367.303992 0.637023 LBFGSLineSearch: 52 19:14:04 -367.305754 0.658027 LBFGSLineSearch: 53 19:14:04 -367.307874 0.648332 LBFGSLineSearch: 54 19:14:05 -367.309050 0.642707 LBFGSLineSearch: 55 19:14:05 -367.310115 0.640489 LBFGSLineSearch: 56 19:14:06 -367.311237 0.648146 LBFGSLineSearch: 57 19:14:08 -367.312299 0.635971 LBFGSLineSearch: 58 19:14:08 -367.312911 0.625060 LBFGSLineSearch: 59 19:14:08 -367.313537 0.608704 LBFGSLineSearch: 60 19:14:08 -367.314429 0.614044 LBFGSLineSearch: 61 19:14:08 -367.315223 0.618825 LBFGSLineSearch: 62 19:14:09 -367.315415 0.619055 LBFGSLineSearch: 63 19:14:09 -367.315595 0.612800 LBFGSLineSearch: 64 19:14:09 -367.315746 0.618819 LBFGSLineSearch: 65 19:14:09 -367.315792 0.620858 LBFGSLineSearch: 66 19:14:09 -367.315820 0.618808 LBFGSLineSearch: 67 19:14:09 -367.315851 0.615703 LBFGSLineSearch: 68 19:14:10 -367.315874 0.615061 LBFGSLineSearch: 69 19:14:10 -367.315918 0.615603 LBFGSLineSearch: 70 19:14:10 -367.315954 0.613218 LBFGSLineSearch: 71 19:14:10 -367.315963 0.613127 LBFGSLineSearch: 72 19:14:11 -367.315972 0.613173 LBFGSLineSearch: 73 19:14:11 -367.315982 0.613268 LBFGSLineSearch: 74 19:14:11 -367.315994 0.613418 LBFGSLineSearch: 75 19:14:11 -367.315999 0.613777 LBFGSLineSearch: 76 19:14:12 -367.316006 0.614809 LBFGSLineSearch: 77 19:14:12 -367.316018 0.615560 LBFGSLineSearch: 78 19:14:12 -367.316036 0.615456 LBFGSLineSearch: 79 19:14:12 -367.316045 0.615361 LBFGSLineSearch: 80 19:14:13 -367.316054 0.614978 LBFGSLineSearch: 81 19:14:13 -367.316074 0.613848 LBFGSLineSearch: 82 19:14:13 -367.316093 0.612250 LBFGSLineSearch: 83 19:14:13 -367.316101 0.612047 LBFGSLineSearch: 84 19:14:14 -367.316117 0.614792 LBFGSLineSearch: 85 19:14:14 -367.316133 0.615092 LBFGSLineSearch: 86 19:14:14 -367.316136 0.615544 LBFGSLineSearch: 87 19:14:15 -367.316140 0.615697 LBFGSLineSearch: 88 19:14:15 -367.316143 0.615063 LBFGSLineSearch: 89 19:14:15 -367.316144 0.614726 LBFGSLineSearch: 90 19:14:15 -367.316146 0.614339 LBFGSLineSearch: 91 19:14:16 -367.316147 0.614666 LBFGSLineSearch: 92 19:14:16 -367.316149 0.614608 LBFGSLineSearch: 93 19:14:17 -367.316152 0.615196 LBFGSLineSearch: 94 19:14:17 -367.316153 0.614872 LBFGSLineSearch: 95 19:14:17 -367.316154 0.615189 LBFGSLineSearch: 96 19:14:17 -367.316155 0.615403 LBFGSLineSearch: 97 19:14:17 -367.316155 0.615143 LBFGSLineSearch: 98 19:14:17 -367.316156 0.615306 LBFGSLineSearch: 99 19:14:18 -367.316156 0.615410 LBFGSLineSearch: 100 19:14:18 -367.316156 0.615521 LBFGSLineSearch: 101 19:14:18 -367.316157 0.615593 LBFGSLineSearch: 102 19:14:18 -367.316157 0.615650 LBFGSLineSearch: 103 19:14:18 -367.316157 0.615490 LBFGSLineSearch: 104 19:14:19 -367.316157 0.615588 LBFGSLineSearch: 105 19:14:19 -367.316157 0.615557 LBFGSLineSearch: 106 19:14:19 -367.316157 0.615526 LBFGSLineSearch: 107 19:14:19 -367.316157 0.615466 LBFGSLineSearch: 108 19:14:20 -367.316157 0.615499 LBFGSLineSearch: 109 19:14:20 -367.316157 0.615456 LBFGSLineSearch: 110 19:14:20 -367.316157 0.615438 LBFGSLineSearch: 111 19:14:20 -367.316157 0.615498 LBFGSLineSearch: 112 19:14:20 -367.316158 0.615755 LBFGSLineSearch: 113 19:14:20 -367.316158 0.615750 LBFGSLineSearch: 114 19:14:21 -367.316159 0.615721 LBFGSLineSearch: 115 19:14:21 -367.316159 0.615753 LBFGSLineSearch: 116 19:14:21 -367.316161 0.615996 LBFGSLineSearch: 117 19:14:21 -367.316163 0.615698 LBFGSLineSearch: 118 19:14:21 -367.316170 0.616803 LBFGSLineSearch: 119 19:14:21 -367.316171 0.616464 LBFGSLineSearch: 120 19:14:21 -367.316175 0.615050 LBFGSLineSearch: 121 19:14:22 -368.162916 0.859872 LBFGSLineSearch: 122 19:14:22 -368.162916 0.859872 LBFGSLineSearch: 123 19:14:22 -368.162916 0.859872 LBFGSLineSearch: 124 19:14:22 -368.162916 0.859872 LBFGSLineSearch: 125 19:14:23 -368.162916 0.859872 LBFGSLineSearch: 126 19:14:23 -367.329133 0.609938 LBFGSLineSearch: 127 19:14:23 -368.163126 0.859541 LBFGSLineSearch: 128 19:14:23 -368.163136 0.859363 LBFGSLineSearch: 129 19:14:24 -368.163150 0.855770 LBFGSLineSearch: 130 19:14:24 -368.163161 0.857467 LBFGSLineSearch: 131 19:14:24 -368.163164 0.858074 LBFGSLineSearch: 132 19:14:24 -368.965135 0.255059 LBFGSLineSearch: 133 19:14:24 -368.968599 0.248858 LBFGSLineSearch: 134 19:14:25 -368.968601 0.248856 LBFGSLineSearch: 135 19:14:25 -368.974470 0.240900 LBFGSLineSearch: 136 19:14:25 -368.974470 0.240900 LBFGSLineSearch: 137 19:14:25 -368.974470 0.240900 LBFGSLineSearch: 138 19:14:26 -368.974470 0.240900 LBFGSLineSearch: 139 19:14:26 -368.974470 0.240900 LBFGSLineSearch: 140 19:14:26 -368.166607 0.858632 LBFGSLineSearch: 141 19:14:26 -368.166647 0.857276 LBFGSLineSearch: 142 19:14:26 -368.166657 0.856782 LBFGSLineSearch: 143 19:14:26 -368.166659 0.856823 LBFGSLineSearch: 144 19:14:26 -368.166660 0.856848 LBFGSLineSearch: 145 19:14:26 -368.166662 0.856356 LBFGSLineSearch: 146 19:14:26 -368.166662 0.856481 LBFGSLineSearch: 147 19:14:26 -368.166662 0.856441 LBFGSLineSearch: 148 19:14:26 -368.166662 0.856524 LBFGSLineSearch: 149 19:14:26 -368.166662 0.856406 LBFGSLineSearch: 150 19:14:26 -368.166662 0.856464 LBFGSLineSearch: 151 19:14:26 -368.166663 0.856630 LBFGSLineSearch: 152 19:14:26 -368.166663 0.856616 LBFGSLineSearch: 153 19:14:27 -368.166663 0.856647 LBFGSLineSearch: 154 19:14:27 -368.166663 0.856621 LBFGSLineSearch: 155 19:14:27 -368.166663 0.856496 LBFGSLineSearch: 156 19:14:27 -368.166663 0.856628 LBFGSLineSearch: 157 19:14:27 -368.166663 0.856571 LBFGSLineSearch: 158 19:14:27 -368.166663 0.856280 LBFGSLineSearch: 159 19:14:27 -368.166664 0.856666 LBFGSLineSearch: 160 19:14:27 -368.166665 0.856722 LBFGSLineSearch: 161 19:14:27 -368.166666 0.856234 LBFGSLineSearch: 162 19:14:27 -368.974529 0.242149 LBFGSLineSearch: 163 19:14:27 -368.974530 0.242164 LBFGSLineSearch: 164 19:14:27 -368.974530 0.242164 LBFGSLineSearch: 165 19:14:27 -368.974530 0.242164 LBFGSLineSearch: 166 19:14:28 -368.974530 0.242164 LBFGSLineSearch: 167 19:14:28 -368.974530 0.242164 LBFGSLineSearch: 168 19:14:28 -368.974530 0.242164 LBFGSLineSearch: 169 19:14:28 -368.974530 0.242164 LBFGSLineSearch: 170 19:14:28 -368.974530 0.242164 LBFGSLineSearch: 171 19:14:29 -368.974530 0.242164 LBFGSLineSearch: 172 19:14:29 -368.974530 0.242164 LBFGSLineSearch: 173 19:14:29 -368.974530 0.242164 LBFGSLineSearch: 174 19:14:29 -368.974530 0.242164 LBFGSLineSearch: 175 19:14:30 -368.974530 0.242164 LBFGSLineSearch: 176 19:14:30 -368.974530 0.242164 LBFGSLineSearch: 177 19:14:30 -368.974530 0.242164 LBFGSLineSearch: 178 19:14:30 -368.974530 0.242164 LBFGSLineSearch: 179 19:14:31 -368.974530 0.242164 LBFGSLineSearch: 180 19:14:31 -368.974530 0.242164 LBFGSLineSearch: 181 19:14:31 -368.974530 0.242164 LBFGSLineSearch: 182 19:14:31 -368.974530 0.242163 LBFGSLineSearch: 183 19:14:32 -368.974530 0.242163 LBFGSLineSearch: 184 19:14:32 -368.974531 0.242159 LBFGSLineSearch: 185 19:14:32 -368.974531 0.242159 LBFGSLineSearch: 186 19:14:32 -368.974531 0.242159 LBFGSLineSearch: 187 19:14:32 -368.974531 0.242158 LBFGSLineSearch: 188 19:14:32 -368.974584 0.241851 LBFGSLineSearch: 189 19:14:33 -368.974584 0.241851 LBFGSLineSearch: 190 19:14:33 -368.974584 0.241851 LBFGSLineSearch: 191 19:14:33 -368.974584 0.241851 LBFGSLineSearch: 192 19:14:33 -368.974584 0.241851 LBFGSLineSearch: 193 19:14:33 -368.974584 0.241851 LBFGSLineSearch: 194 19:14:34 -368.974584 0.241851 LBFGSLineSearch: 195 19:14:34 -368.974584 0.241851 LBFGSLineSearch: 196 19:14:34 -368.974584 0.241851 LBFGSLineSearch: 197 19:14:34 -368.974584 0.241851 LBFGSLineSearch: 198 19:14:34 -368.974584 0.241851 LBFGSLineSearch: 199 19:14:34 -368.974584 0.241851 LBFGSLineSearch: 200 19:14:34 -368.974584 0.241851 The minimization failed to converge. See kim-tools.log for more info