Model name? Sim_LAMMPS_BOP_MurdickZhouWadley_2006_GaAs__SM_104202807866_001 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_oC4_63_c" }, "stoichiometric-species": { "source-value": [ "Ga" ] }, "a": { "source-value": 2.7854, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 2.9018453, 1.1948374, 0.13408348 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_086875703202_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 0.1739384021594358 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 16:19:04 -5.255401 1.319665 LBFGSLineSearch: 1 16:19:05 -5.357687 0.594259 LBFGSLineSearch: 2 16:19:05 -5.369542 0.821362 LBFGSLineSearch: 3 16:19:05 -5.455153 0.373613 LBFGSLineSearch: 4 16:19:05 -5.462859 0.238487 LBFGSLineSearch: 5 16:19:05 -5.474036 0.415359 LBFGSLineSearch: 6 16:19:06 -5.481877 0.338051 LBFGSLineSearch: 7 16:19:06 -5.485177 0.277771 LBFGSLineSearch: 8 16:19:06 -5.488314 0.154144 LBFGSLineSearch: 9 16:19:08 -5.490057 0.061366 LBFGSLineSearch: 10 16:19:11 -5.490323 0.008096 LBFGSLineSearch: 11 16:19:13 -5.490332 0.000851 LBFGSLineSearch: 12 16:19:14 -5.490333 0.000154 LBFGSLineSearch: 13 16:19:20 -5.490333 0.000106 LBFGSLineSearch: 14 16:19:23 -5.490333 0.000106 LBFGSLineSearch: 15 16:19:24 -5.490333 0.000106 LBFGSLineSearch: 16 16:19:24 -5.490333 0.000106 LBFGSLineSearch: 17 16:19:24 -5.490333 0.000106 LBFGSLineSearch: 18 16:19:24 -5.490333 0.000106 LBFGSLineSearch: 19 16:19:25 -5.490333 0.000106 LBFGSLineSearch: 20 16:19:25 -5.490333 0.000106 LBFGSLineSearch: 21 16:19:25 -5.490333 0.000106 LBFGSLineSearch: 22 16:19:25 -5.490333 0.000106 LBFGSLineSearch: 23 16:19:26 -5.490333 0.000106 LBFGSLineSearch: 24 16:19:26 -5.490333 0.000106 LBFGSLineSearch: 25 16:19:26 -5.490333 0.000106 LBFGSLineSearch: 26 16:19:27 -5.490333 0.000106 LBFGSLineSearch: 27 16:19:27 -5.490333 0.000106 LBFGSLineSearch: 28 16:19:27 -5.490333 0.000106 LBFGSLineSearch: 29 16:19:27 -5.490333 0.000106 LBFGSLineSearch: 30 16:19:28 -5.490333 0.000106 LBFGSLineSearch: 31 16:19:28 -5.490333 0.000106 LBFGSLineSearch: 32 16:19:28 -5.490333 0.000106 LBFGSLineSearch: 33 16:19:29 -5.490333 0.000106 LBFGSLineSearch: 34 16:19:29 -5.490333 0.000106 LBFGSLineSearch: 35 16:19:29 -5.490333 0.000106 LBFGSLineSearch: 36 16:19:29 -5.490333 0.000106 LBFGSLineSearch: 37 16:19:30 -5.490333 0.000106 LBFGSLineSearch: 38 16:19:30 -5.490333 0.000106 LBFGSLineSearch: 39 16:19:30 -5.490333 0.000106 LBFGSLineSearch: 40 16:19:30 -5.490333 0.000106 LBFGSLineSearch: 41 16:19:31 -5.490333 0.000106 LBFGSLineSearch: 42 16:19:31 -5.490333 0.000106 LBFGSLineSearch: 43 16:19:31 -5.490333 0.000106 LBFGSLineSearch: 44 16:19:31 -5.490333 0.000106 LBFGSLineSearch: 45 16:19:32 -5.490333 0.000106 LBFGSLineSearch: 46 16:19:32 -5.490333 0.000106 LBFGSLineSearch: 47 16:19:33 -5.490333 0.000106 LBFGSLineSearch: 48 16:19:33 -5.490333 0.000106 LBFGSLineSearch: 49 16:19:33 -5.490333 0.000106 LBFGSLineSearch: 50 16:19:33 -5.490333 0.000106 LBFGSLineSearch: 51 16:19:34 -5.490333 0.000106 LBFGSLineSearch: 52 16:19:35 -5.490333 0.000106 LBFGSLineSearch: 53 16:19:35 -5.490333 0.000106 LBFGSLineSearch: 54 16:19:36 -5.490333 0.000106 LBFGSLineSearch: 55 16:19:37 -5.490333 0.000106 LBFGSLineSearch: 56 16:19:37 -5.490333 0.000106 LBFGSLineSearch: 57 16:19:37 -5.490333 0.000106 LBFGSLineSearch: 58 16:19:38 -5.490333 0.000106 LBFGSLineSearch: 59 16:19:38 -5.490333 0.000106 LBFGSLineSearch: 60 16:19:38 -5.490333 0.000106 LBFGSLineSearch: 61 16:19:39 -5.490333 0.000106 LBFGSLineSearch: 62 16:19:39 -5.490333 0.000106 LBFGSLineSearch: 63 16:19:39 -5.490333 0.000106 LBFGSLineSearch: 64 16:19:39 -5.490333 0.000106 LBFGSLineSearch: 65 16:19:40 -5.490333 0.000106 LBFGSLineSearch: 66 16:19:40 -5.490333 0.000106 LBFGSLineSearch: 67 16:19:40 -5.490333 0.000106 LBFGSLineSearch: 68 16:19:40 -5.490333 0.000106 LBFGSLineSearch: 69 16:19:41 -5.490333 0.000106 LBFGSLineSearch: 70 16:19:41 -5.490333 0.000106 LBFGSLineSearch: 71 16:19:41 -5.490333 0.000106 LBFGSLineSearch: 72 16:19:41 -5.490333 0.000106 LBFGSLineSearch: 73 16:19:42 -5.490333 0.000106 LBFGSLineSearch: 74 16:19:42 -5.490333 0.000106 LBFGSLineSearch: 75 16:19:42 -5.490333 0.000106 LBFGSLineSearch: 76 16:19:42 -5.490333 0.000106 LBFGSLineSearch: 77 16:19:43 -5.490333 0.000106 LBFGSLineSearch: 78 16:19:43 -5.490333 0.000106 LBFGSLineSearch: 79 16:19:43 -5.490333 0.000106 LBFGSLineSearch: 80 16:19:43 -5.490333 0.000106 LBFGSLineSearch: 81 16:19:43 -5.490333 0.000106 LBFGSLineSearch: 82 16:19:44 -5.490333 0.000106 LBFGSLineSearch: 83 16:19:44 -5.490333 0.000106 LBFGSLineSearch: 84 16:19:44 -5.490333 0.000106 LBFGSLineSearch: 85 16:19:44 -5.490333 0.000106 LBFGSLineSearch: 86 16:19:44 -5.490333 0.000106 LBFGSLineSearch: 87 16:19:45 -5.490333 0.000106 LBFGSLineSearch: 88 16:19:45 -5.490333 0.000106 LBFGSLineSearch: 89 16:19:45 -5.490333 0.000106 LBFGSLineSearch: 90 16:19:45 -5.490333 0.000106 LBFGSLineSearch: 91 16:19:45 -5.490333 0.000106 LBFGSLineSearch: 92 16:19:46 -5.490333 0.000106 LBFGSLineSearch: 93 16:19:46 -5.490333 0.000106 LBFGSLineSearch: 94 16:19:46 -5.490333 0.000106 LBFGSLineSearch: 95 16:19:46 -5.490333 0.000106 LBFGSLineSearch: 96 16:19:47 -5.490333 0.000106 LBFGSLineSearch: 97 16:19:47 -5.490333 0.000106 LBFGSLineSearch: 98 16:19:47 -5.490333 0.000106 LBFGSLineSearch: 99 16:19:47 -5.490333 0.000106 LBFGSLineSearch: 100 16:19:48 -5.490333 0.000106 LBFGSLineSearch: 101 16:19:48 -5.490333 0.000106 LBFGSLineSearch: 102 16:19:48 -5.490333 0.000106 LBFGSLineSearch: 103 16:19:48 -5.490333 0.000106 LBFGSLineSearch: 104 16:19:48 -5.490333 0.000106 LBFGSLineSearch: 105 16:19:49 -5.490333 0.000106 LBFGSLineSearch: 106 16:19:49 -5.490333 0.000106 LBFGSLineSearch: 107 16:19:49 -5.490333 0.000106 LBFGSLineSearch: 108 16:19:49 -5.490333 0.000106 LBFGSLineSearch: 109 16:19:49 -5.490333 0.000106 LBFGSLineSearch: 110 16:19:50 -5.490333 0.000106 LBFGSLineSearch: 111 16:19:50 -5.490333 0.000106 LBFGSLineSearch: 112 16:19:50 -5.490333 0.000106 LBFGSLineSearch: 113 16:19:50 -5.490333 0.000106 LBFGSLineSearch: 114 16:19:50 -5.490333 0.000106 LBFGSLineSearch: 115 16:19:50 -5.490333 0.000106 LBFGSLineSearch: 116 16:19:51 -5.490333 0.000106 LBFGSLineSearch: 117 16:19:51 -5.490333 0.000106 LBFGSLineSearch: 118 16:19:51 -5.490333 0.000106 LBFGSLineSearch: 119 16:19:51 -5.490333 0.000106 LBFGSLineSearch: 120 16:19:51 -5.490333 0.000106 LBFGSLineSearch: 121 16:19:52 -5.490333 0.000106 LBFGSLineSearch: 122 16:19:52 -5.490333 0.000106 LBFGSLineSearch: 123 16:19:52 -5.490333 0.000106 LBFGSLineSearch: 124 16:19:52 -5.490333 0.000106 LBFGSLineSearch: 125 16:19:52 -5.490333 0.000106 LBFGSLineSearch: 126 16:19:52 -5.490333 0.000106 LBFGSLineSearch: 127 16:19:53 -5.490333 0.000106 LBFGSLineSearch: 128 16:19:53 -5.490333 0.000106 LBFGSLineSearch: 129 16:19:53 -5.490333 0.000106 LBFGSLineSearch: 130 16:19:53 -5.490333 0.000106 LBFGSLineSearch: 131 16:19:54 -5.490333 0.000106 LBFGSLineSearch: 132 16:19:54 -5.490333 0.000106 LBFGSLineSearch: 133 16:19:54 -5.490333 0.000106 LBFGSLineSearch: 134 16:19:54 -5.490333 0.000106 LBFGSLineSearch: 135 16:19:55 -5.490333 0.000106 LBFGSLineSearch: 136 16:19:55 -5.490333 0.000106 LBFGSLineSearch: 137 16:19:55 -5.490333 0.000106 LBFGSLineSearch: 138 16:19:55 -5.490333 0.000106 LBFGSLineSearch: 139 16:19:55 -5.490333 0.000106 LBFGSLineSearch: 140 16:19:56 -5.490333 0.000106 LBFGSLineSearch: 141 16:19:56 -5.490333 0.000106 LBFGSLineSearch: 142 16:19:56 -5.490333 0.000106 LBFGSLineSearch: 143 16:19:56 -5.490333 0.000106 LBFGSLineSearch: 144 16:19:57 -5.490333 0.000106 LBFGSLineSearch: 145 16:19:57 -5.490333 0.000106 LBFGSLineSearch: 146 16:19:57 -5.490333 0.000106 LBFGSLineSearch: 147 16:19:58 -5.490333 0.000106 LBFGSLineSearch: 148 16:19:58 -5.490333 0.000106 LBFGSLineSearch: 149 16:19:58 -5.490333 0.000106 LBFGSLineSearch: 150 16:19:58 -5.490333 0.000106 LBFGSLineSearch: 151 16:19:58 -5.490333 0.000106 LBFGSLineSearch: 152 16:19:59 -5.490333 0.000106 LBFGSLineSearch: 153 16:19:59 -5.490333 0.000106 LBFGSLineSearch: 154 16:19:59 -5.490333 0.000106 LBFGSLineSearch: 155 16:19:59 -5.490333 0.000106 LBFGSLineSearch: 156 16:20:00 -5.490333 0.000106 LBFGSLineSearch: 157 16:20:00 -5.490333 0.000106 LBFGSLineSearch: 158 16:20:00 -5.490333 0.000106 LBFGSLineSearch: 159 16:20:00 -5.490333 0.000106 LBFGSLineSearch: 160 16:20:01 -5.490333 0.000106 LBFGSLineSearch: 161 16:20:01 -5.490333 0.000106 LBFGSLineSearch: 162 16:20:01 -5.490333 0.000106 LBFGSLineSearch: 163 16:20:01 -5.490333 0.000106 LBFGSLineSearch: 164 16:20:01 -5.490333 0.000106 LBFGSLineSearch: 165 16:20:02 -5.490333 0.000106 LBFGSLineSearch: 166 16:20:02 -5.490333 0.000106 LBFGSLineSearch: 167 16:20:02 -5.490333 0.000106 LBFGSLineSearch: 168 16:20:02 -5.490333 0.000106 LBFGSLineSearch: 169 16:20:03 -5.490333 0.000106 LBFGSLineSearch: 170 16:20:03 -5.490333 0.000106 LBFGSLineSearch: 171 16:20:03 -5.490333 0.000106 LBFGSLineSearch: 172 16:20:04 -5.490333 0.000106 LBFGSLineSearch: 173 16:20:04 -5.490333 0.000106 LBFGSLineSearch: 174 16:20:04 -5.490333 0.000106 LBFGSLineSearch: 175 16:20:04 -5.490333 0.000106 LBFGSLineSearch: 176 16:20:04 -5.490333 0.000106 LBFGSLineSearch: 177 16:20:05 -5.490333 0.000106 LBFGSLineSearch: 178 16:20:05 -5.490333 0.000106 LBFGSLineSearch: 179 16:20:05 -5.490333 0.000106 LBFGSLineSearch: 180 16:20:05 -5.490333 0.000106 LBFGSLineSearch: 181 16:20:06 -5.490333 0.000106 LBFGSLineSearch: 182 16:20:06 -5.490333 0.000106 LBFGSLineSearch: 183 16:20:06 -5.490333 0.000106 LBFGSLineSearch: 184 16:20:06 -5.490333 0.000106 LBFGSLineSearch: 185 16:20:06 -5.490333 0.000106 LBFGSLineSearch: 186 16:20:07 -5.490333 0.000106 LBFGSLineSearch: 187 16:20:07 -5.490333 0.000106 LBFGSLineSearch: 188 16:20:07 -5.490333 0.000106 LBFGSLineSearch: 189 16:20:07 -5.490333 0.000106 LBFGSLineSearch: 190 16:20:07 -5.490333 0.000106 LBFGSLineSearch: 191 16:20:07 -5.490333 0.000106 LBFGSLineSearch: 192 16:20:08 -5.490333 0.000106 LBFGSLineSearch: 193 16:20:08 -5.490333 0.000106 LBFGSLineSearch: 194 16:20:08 -5.490333 0.000106 LBFGSLineSearch: 195 16:20:08 -5.490333 0.000106 LBFGSLineSearch: 196 16:20:08 -5.490333 0.000106 LBFGSLineSearch: 197 16:20:09 -5.490333 0.000106 LBFGSLineSearch: 198 16:20:09 -5.490333 0.000106 LBFGSLineSearch: 199 16:20:09 -5.490333 0.000106 LBFGSLineSearch: 200 16:20:09 -5.490333 0.000106 The minimization failed to converge. See kim-tools.log for more info