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_tP106_137_a5g4h" }, "stoichiometric-species": { "source-value": [ "Si" ] }, "a": { "source-value": 10.1614, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 2.3850257, 0.93992864, 0.19609985, 0.87847441, 0.10226691, 0.13030281, 0.77487209, 0.98453855, 0.85341975, 0.13332475, 0.92680675, 0.43292986, 0.065760748, 0.72131569, 0.45643579, 0.87171028, 0.86152967, 0.57092716, 0.9958931, 0.93303081, 0.43052092, 0.13256247, 0.98508065 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_916506373351_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum force component 0.7977627755555805 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 19:53:37 -465.624976 0.833022 LBFGSLineSearch: 1 19:53:38 -465.959161 0.421950 LBFGSLineSearch: 2 19:53:38 -466.262704 0.389606 LBFGSLineSearch: 3 19:53:38 -466.573165 0.504954 LBFGSLineSearch: 4 19:53:38 -466.890686 0.597503 LBFGSLineSearch: 5 19:53:39 -467.329136 0.234853 LBFGSLineSearch: 6 19:53:39 -467.392198 0.223304 LBFGSLineSearch: 7 19:53:40 -467.444979 0.159336 LBFGSLineSearch: 8 19:53:40 -467.460723 0.158469 LBFGSLineSearch: 9 19:53:40 -467.485743 0.177194 LBFGSLineSearch: 10 19:53:41 -467.505606 0.202055 LBFGSLineSearch: 11 19:53:41 -467.534350 0.204047 LBFGSLineSearch: 12 19:53:41 -467.549208 0.207902 LBFGSLineSearch: 13 19:53:42 -467.566574 0.220648 LBFGSLineSearch: 14 19:53:42 -467.583171 0.228702 LBFGSLineSearch: 15 19:53:45 -469.377304 0.764888 LBFGSLineSearch: 16 19:53:47 -469.377304 0.764888 LBFGSLineSearch: 17 19:53:48 -469.377306 0.764884 LBFGSLineSearch: 18 19:53:50 -469.377306 0.764884 LBFGSLineSearch: 19 19:53:52 -469.377306 0.764884 LBFGSLineSearch: 20 19:53:57 -469.377306 0.764884 LBFGSLineSearch: 21 19:53:59 -469.377306 0.764884 LBFGSLineSearch: 22 19:53:59 -467.589238 0.231768 LBFGSLineSearch: 23 19:54:00 -469.424564 0.539767 LBFGSLineSearch: 24 19:54:00 -469.440021 0.512523 LBFGSLineSearch: 25 19:54:00 -469.456891 0.461794 LBFGSLineSearch: 26 19:54:01 -469.486213 0.486282 LBFGSLineSearch: 27 19:54:01 -469.509379 0.422218 LBFGSLineSearch: 28 19:54:01 -469.528136 0.478133 LBFGSLineSearch: 29 19:54:02 -469.572114 0.402679 LBFGSLineSearch: 30 19:54:02 -469.590361 0.402176 LBFGSLineSearch: 31 19:54:03 -469.599539 0.405279 LBFGSLineSearch: 32 19:54:03 -469.599542 0.405278 LBFGSLineSearch: 33 19:54:04 -469.599542 0.405278 LBFGSLineSearch: 34 19:54:05 -469.599542 0.405278 LBFGSLineSearch: 35 19:54:06 -469.599542 0.405278 LBFGSLineSearch: 36 19:54:07 -469.599542 0.405278 LBFGSLineSearch: 37 19:54:08 -469.599542 0.405278 LBFGSLineSearch: 38 19:54:09 -469.599542 0.405278 LBFGSLineSearch: 39 19:54:10 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-469.668495 0.495575 LBFGSLineSearch: 60 19:54:17 -469.670546 0.469919 LBFGSLineSearch: 61 19:54:17 -469.671793 0.468015 LBFGSLineSearch: 62 19:54:17 -469.672391 0.470309 LBFGSLineSearch: 63 19:54:17 -469.672688 0.462977 LBFGSLineSearch: 64 19:54:18 -469.672813 0.458177 LBFGSLineSearch: 65 19:54:18 -469.672940 0.458888 LBFGSLineSearch: 66 19:54:18 -469.673060 0.453160 LBFGSLineSearch: 67 19:54:18 -469.673830 0.447391 LBFGSLineSearch: 68 19:54:18 -469.676576 0.416889 LBFGSLineSearch: 69 19:54:18 -469.681281 0.391558 LBFGSLineSearch: 70 19:54:18 -469.681529 0.390775 LBFGSLineSearch: 71 19:54:19 -469.681529 0.390775 LBFGSLineSearch: 72 19:54:19 -469.681529 0.390774 LBFGSLineSearch: 73 19:54:19 -469.681529 0.390774 LBFGSLineSearch: 74 19:54:20 -469.681529 0.390774 LBFGSLineSearch: 75 19:54:20 -469.681529 0.390774 LBFGSLineSearch: 76 19:54:20 -469.681529 0.390774 LBFGSLineSearch: 77 19:54:21 -469.681529 0.390774 LBFGSLineSearch: 78 19:54:21 -469.681529 0.390774 LBFGSLineSearch: 79 19:54:21 -469.681529 0.390774 LBFGSLineSearch: 80 19:54:22 -469.681529 0.390774 LBFGSLineSearch: 81 19:54:22 -467.892449 0.422196 LBFGSLineSearch: 82 19:54:22 -467.903641 0.507395 LBFGSLineSearch: 83 19:54:22 -467.904065 0.491967 LBFGSLineSearch: 84 19:54:22 -467.906430 0.526693 LBFGSLineSearch: 85 19:54:22 -467.906468 0.527706 LBFGSLineSearch: 86 19:54:22 -467.906488 0.528284 LBFGSLineSearch: 87 19:54:23 -467.906503 0.528609 LBFGSLineSearch: 88 19:54:23 -467.906515 0.528726 LBFGSLineSearch: 89 19:54:23 -467.906690 0.528494 LBFGSLineSearch: 90 19:54:23 -467.906877 0.532660 LBFGSLineSearch: 91 19:54:23 -467.906905 0.533339 LBFGSLineSearch: 92 19:54:23 -467.906912 0.533561 LBFGSLineSearch: 93 19:54:23 -467.906913 0.533527 LBFGSLineSearch: 94 19:54:23 -467.906915 0.533334 LBFGSLineSearch: 95 19:54:24 -467.906962 0.530887 LBFGSLineSearch: 96 19:54:24 -467.907088 0.527977 LBFGSLineSearch: 97 19:54:24 -467.907225 0.522411 LBFGSLineSearch: 98 19:54:24 -467.907231 0.522805 LBFGSLineSearch: 99 19:54:24 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LBFGSLineSearch: 119 19:54:29 -469.694208 0.294958 LBFGSLineSearch: 120 19:54:29 -469.694208 0.294958 LBFGSLineSearch: 121 19:54:30 -469.694208 0.294958 LBFGSLineSearch: 122 19:54:30 -469.694208 0.294958 LBFGSLineSearch: 123 19:54:30 -469.694208 0.294958 LBFGSLineSearch: 124 19:54:31 -469.694208 0.294958 LBFGSLineSearch: 125 19:54:31 -469.694208 0.294958 LBFGSLineSearch: 126 19:54:31 -469.694208 0.294958 LBFGSLineSearch: 127 19:54:31 -469.694208 0.294958 LBFGSLineSearch: 128 19:54:31 -467.909120 0.521887 LBFGSLineSearch: 129 19:54:32 -469.694696 0.291071 LBFGSLineSearch: 130 19:54:32 -469.694905 0.292319 LBFGSLineSearch: 131 19:54:32 -469.694908 0.293734 LBFGSLineSearch: 132 19:54:32 -469.694908 0.293726 LBFGSLineSearch: 133 19:54:32 -469.694908 0.293716 LBFGSLineSearch: 134 19:54:32 -469.694908 0.293719 LBFGSLineSearch: 135 19:54:32 -469.694908 0.293721 LBFGSLineSearch: 136 19:54:32 -469.694908 0.293717 LBFGSLineSearch: 137 19:54:33 -469.694908 0.293714 LBFGSLineSearch: 138 19:54:33 -469.694908 0.293718 LBFGSLineSearch: 139 19:54:33 -469.694908 0.293713 LBFGSLineSearch: 140 19:54:33 -469.694910 0.293760 LBFGSLineSearch: 141 19:54:33 -469.694947 0.293949 LBFGSLineSearch: 142 19:54:33 -469.695446 0.293129 LBFGSLineSearch: 143 19:54:34 -469.695446 0.293129 LBFGSLineSearch: 144 19:54:34 -469.695446 0.293129 LBFGSLineSearch: 145 19:54:34 -469.695446 0.293129 LBFGSLineSearch: 146 19:54:34 -469.695446 0.293129 LBFGSLineSearch: 147 19:54:34 -467.908626 0.523027 LBFGSLineSearch: 148 19:54:34 -467.908703 0.523039 LBFGSLineSearch: 149 19:54:35 -467.908709 0.523439 LBFGSLineSearch: 150 19:54:35 -467.908709 0.523491 LBFGSLineSearch: 151 19:54:35 -467.908709 0.523480 LBFGSLineSearch: 152 19:54:35 -467.908709 0.523409 LBFGSLineSearch: 153 19:54:35 -467.908709 0.523519 LBFGSLineSearch: 154 19:54:35 -467.908750 0.524169 LBFGSLineSearch: 155 19:54:35 -469.695441 0.291521 LBFGSLineSearch: 156 19:54:35 -469.695441 0.291521 LBFGSLineSearch: 157 19:54:36 -469.695441 0.291521 LBFGSLineSearch: 158 19:54:36 -469.695441 0.291522 LBFGSLineSearch: 159 19:54:37 -469.695441 0.291522 LBFGSLineSearch: 160 19:54:37 -469.695441 0.291522 LBFGSLineSearch: 161 19:54:37 -469.695441 0.291522 LBFGSLineSearch: 162 19:54:38 -469.695441 0.291522 LBFGSLineSearch: 163 19:54:38 -469.695441 0.291522 LBFGSLineSearch: 164 19:54:38 -467.908807 0.524500 LBFGSLineSearch: 165 19:54:38 -467.908827 0.523706 LBFGSLineSearch: 166 19:54:38 -467.908830 0.523229 LBFGSLineSearch: 167 19:54:38 -467.908830 0.523229 LBFGSLineSearch: 168 19:54:39 -467.908830 0.523229 LBFGSLineSearch: 169 19:54:39 -469.695447 0.292875 LBFGSLineSearch: 170 19:54:39 -469.695449 0.292844 LBFGSLineSearch: 171 19:54:40 -469.695449 0.292844 LBFGSLineSearch: 172 19:54:40 -469.695449 0.292843 LBFGSLineSearch: 173 19:54:40 -469.695449 0.292843 LBFGSLineSearch: 174 19:54:40 -469.695449 0.292843 LBFGSLineSearch: 175 19:54:40 -469.695449 0.292843 LBFGSLineSearch: 176 19:54:41 -469.695449 0.292843 LBFGSLineSearch: 177 19:54:41 -469.695449 0.292843 LBFGSLineSearch: 178 19:54:41 -469.695449 0.292843 LBFGSLineSearch: 179 19:54:41 -469.695449 0.292843 LBFGSLineSearch: 180 19:54:42 -469.695449 0.292843 LBFGSLineSearch: 181 19:54:42 -469.695449 0.292843 LBFGSLineSearch: 182 19:54:42 -469.695449 0.292843 LBFGSLineSearch: 183 19:54:42 -469.695449 0.292843 LBFGSLineSearch: 184 19:54:43 -469.695449 0.292843 LBFGSLineSearch: 185 19:54:43 -469.695449 0.292843 LBFGSLineSearch: 186 19:54:43 -469.695449 0.292843 LBFGSLineSearch: 187 19:54:44 -469.695449 0.292843 LBFGSLineSearch: 188 19:54:44 -469.695449 0.292843 LBFGSLineSearch: 189 19:54:45 -469.695449 0.292843 LBFGSLineSearch: 190 19:54:45 -469.695449 0.292843 LBFGSLineSearch: 191 19:54:45 -469.695449 0.292843 LBFGSLineSearch: 192 19:54:45 -469.695449 0.292843 LBFGSLineSearch: 193 19:54:45 -467.908854 0.523237 LBFGSLineSearch: 194 19:54:45 -469.695449 0.292712 LBFGSLineSearch: 195 19:54:45 -469.695449 0.292689 LBFGSLineSearch: 196 19:54:45 -469.695449 0.292708 LBFGSLineSearch: 197 19:54:46 -469.695449 0.292742 LBFGSLineSearch: 198 19:54:46 -469.695449 0.292782 LBFGSLineSearch: 199 19:54:46 -469.695449 0.292782 LBFGSLineSearch: 200 19:54:46 -469.695449 0.292782 The minimization failed to converge. See kim-tools.log for more info