element(s): ['O'] AFLOW prototype label: A_hP4_194_f Parameter names: ['a', 'c/a', 'z1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.5258', '3.3934595', '0.67829089'] model name: MEAM_LAMMPS_WeiZhouLi_2019_BeO__MO_344044439515_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['O'] representative atom coordinates = [[0.33333333 0.66666667 0.67829089]] spacegroup = 194 cell = [[2.5258, 0, 0], [-1.2629, 2.1874069648787, 0], [0, 0, 8.5712]] ========================================= Step Time Energy fmax BFGS: 0 15:29:35 11.713700 7.2429 BFGS: 1 15:29:35 10.870765 7.2345 BFGS: 2 15:29:35 10.179820 7.1051 BFGS: 3 15:29:35 9.476468 6.9592 BFGS: 4 15:29:35 8.786385 6.8052 BFGS: 5 15:29:35 8.111886 6.6450 BFGS: 6 15:29:35 7.453552 6.4800 BFGS: 7 15:29:35 6.811790 6.3115 BFGS: 8 15:29:35 6.186896 6.1404 BFGS: 9 15:29:35 5.579071 5.9678 BFGS: 10 15:29:35 4.988427 5.7945 BFGS: 11 15:29:35 4.414998 5.6212 BFGS: 12 15:29:35 3.858748 5.4487 BFGS: 13 15:29:35 3.319582 5.2775 BFGS: 14 15:29:35 2.797348 5.1080 BFGS: 15 15:29:35 2.291849 4.9407 BFGS: 16 15:29:35 1.802848 4.7759 BFGS: 17 15:29:35 1.330074 4.6141 BFGS: 18 15:29:35 0.873226 4.4553 BFGS: 19 15:29:35 0.431982 4.2998 BFGS: 20 15:29:35 0.005999 4.1479 BFGS: 21 15:29:35 -0.405083 3.9995 BFGS: 22 15:29:35 -0.801631 3.8549 BFGS: 23 15:29:35 -1.184026 3.7140 BFGS: 24 15:29:35 -1.552650 3.5770 BFGS: 25 15:29:35 -1.907891 3.4438 BFGS: 26 15:29:35 -2.250137 3.3145 BFGS: 27 15:29:35 -2.579775 3.1890 BFGS: 28 15:29:35 -2.897190 3.0674 BFGS: 29 15:29:35 -3.202762 2.9495 BFGS: 30 15:29:35 -3.496868 2.8354 BFGS: 31 15:29:35 -3.779877 2.7250 BFGS: 32 15:29:35 -4.052152 2.6182 BFGS: 33 15:29:35 -4.314049 2.5149 BFGS: 34 15:29:35 -4.565915 2.4151 BFGS: 35 15:29:35 -4.808089 2.3187 BFGS: 36 15:29:35 -5.040901 2.2257 BFGS: 37 15:29:35 -5.264672 2.1359 BFGS: 38 15:29:35 -5.479700 2.0485 BFGS: 39 15:29:36 -5.685858 1.9572 BFGS: 40 15:29:36 -5.883044 1.8789 BFGS: 41 15:29:36 -6.073632 1.8084 BFGS: 42 15:29:36 -6.256691 1.7335 BFGS: 43 15:29:36 -6.432570 1.6614 BFGS: 44 15:29:36 -6.601418 1.5919 BFGS: 45 15:29:36 -6.763477 1.5250 BFGS: 46 15:29:36 -6.918993 1.4607 BFGS: 47 15:29:36 -7.068200 1.3987 BFGS: 48 15:29:36 -7.211330 1.3392 BFGS: 49 15:29:36 -7.348603 1.2819 BFGS: 50 15:29:36 -7.480233 1.2268 BFGS: 51 15:29:36 -7.606430 1.1739 BFGS: 52 15:29:36 -7.727393 1.1231 BFGS: 53 15:29:36 -7.843316 1.0742 BFGS: 54 15:29:36 -7.954389 1.0273 BFGS: 55 15:29:36 -8.060793 0.9822 BFGS: 56 15:29:36 -8.162703 0.9390 BFGS: 57 15:29:36 -8.260291 0.8975 BFGS: 58 15:29:36 -8.353720 0.8576 BFGS: 59 15:29:36 -8.443150 0.8194 BFGS: 60 15:29:36 -8.528735 0.7828 BFGS: 61 15:29:36 -8.610624 0.7477 BFGS: 62 15:29:36 -8.688960 0.7140 BFGS: 63 15:29:36 -8.763884 0.6817 BFGS: 64 15:29:36 -8.835528 0.6508 BFGS: 65 15:29:36 -8.904024 0.6211 BFGS: 66 15:29:36 -8.969496 0.5928 BFGS: 67 15:29:36 -9.032065 0.5656 BFGS: 68 15:29:36 -9.091848 0.5396 BFGS: 69 15:29:36 -9.148958 0.5147 BFGS: 70 15:29:36 -9.203504 0.4908 BFGS: 71 15:29:36 -9.255591 0.4680 BFGS: 72 15:29:36 -9.305319 0.4462 BFGS: 73 15:29:36 -9.352787 0.4253 BFGS: 74 15:29:36 -9.398088 0.4054 BFGS: 75 15:29:36 -9.441312 0.3863 BFGS: 76 15:29:36 -9.482548 0.3681 BFGS: 77 15:29:36 -9.521879 0.3507 BFGS: 78 15:29:36 -9.559386 0.3340 BFGS: 79 15:29:36 -9.595147 0.3181 BFGS: 80 15:29:36 -9.629236 0.3029 BFGS: 81 15:29:36 -9.661725 0.2884 BFGS: 82 15:29:36 -9.692683 0.2746 BFGS: 83 15:29:36 -9.722177 0.2614 BFGS: 84 15:29:36 -9.750271 0.2488 BFGS: 85 15:29:36 -9.777025 0.2367 BFGS: 86 15:29:36 -9.802499 0.2252 BFGS: 87 15:29:36 -9.826752 0.2147 BFGS: 88 15:29:36 -9.851522 0.2571 BFGS: 89 15:29:36 -9.887347 0.4283 BFGS: 90 15:29:36 -9.929293 0.1678 BFGS: 91 15:29:36 -9.942592 0.1614 BFGS: 92 15:29:36 -9.961424 0.2266 BFGS: 93 15:29:36 -10.019285 1.0865 BFGS: 94 15:29:36 -10.192620 1.9766 BFGS: 95 15:29:36 -10.254626 0.1037 BFGS: 96 15:29:36 -10.254787 0.1036 BFGS: 97 15:29:36 -10.259813 0.1007 BFGS: 98 15:29:36 -10.264271 0.1041 BFGS: 99 15:29:36 -10.268198 0.1082 BFGS: 100 15:29:36 -10.271640 0.1290 BFGS: 101 15:29:36 -10.274627 0.1601 BFGS: 102 15:29:36 -10.262897 0.8195 BFGS: 103 15:29:36 -10.274970 0.0496 BFGS: 104 15:29:36 -10.275081 0.0310 BFGS: 105 15:29:36 -10.275180 0.0287 BFGS: 106 15:29:36 -10.275210 0.0133 BFGS: 107 15:29:36 -10.275215 0.0069 BFGS: 108 15:29:36 -10.275222 0.0104 BFGS: 109 15:29:36 -10.275232 0.0261 BFGS: 110 15:29:36 -10.275269 0.0625 BFGS: 111 15:29:36 -10.275356 0.1175 BFGS: 112 15:29:36 -10.275597 0.2155 BFGS: 113 15:29:36 -10.212319 1.9777 BFGS: 114 15:29:36 -10.275742 0.1574 BFGS: 115 15:29:36 -10.275815 0.1123 BFGS: 116 15:29:36 -10.275902 0.0075 BFGS: 117 15:29:36 -10.275905 0.0072 BFGS: 118 15:29:36 -10.275917 0.0141 BFGS: 119 15:29:36 -10.275939 0.0223 BFGS: 120 15:29:36 -10.276001 0.0355 BFGS: 121 15:29:36 -10.268544 0.9719 BFGS: 122 15:29:36 -10.276030 0.0251 BFGS: 123 15:29:36 -10.276048 0.0195 BFGS: 124 15:29:36 -10.276078 0.0079 BFGS: 125 15:29:36 -10.276081 0.0075 BFGS: 126 15:29:36 -10.276088 0.0069 BFGS: 127 15:29:36 -10.276116 0.0094 BFGS: 128 15:29:36 -10.276180 0.0187 BFGS: 129 15:29:36 -10.232875 1.8333 BFGS: 130 15:29:36 -10.276203 0.0142 BFGS: 131 15:29:36 -10.276217 0.0107 BFGS: 132 15:29:36 -10.276236 0.0076 BFGS: 133 15:29:36 -10.276237 0.0074 BFGS: 134 15:29:36 -10.276243 0.0069 BFGS: 135 15:29:36 -10.276174 0.1099 BFGS: 136 15:29:36 -10.276244 0.0070 BFGS: 137 15:29:36 -10.276246 0.0071 BFGS: 138 15:29:36 -10.273757 0.5870 BFGS: 139 15:29:36 -10.276247 0.0071 BFGS: 140 15:29:36 -10.276247 0.0072 BFGS: 141 15:29:36 -10.275020 0.4205 BFGS: 142 15:29:36 -10.276248 0.0072 BFGS: 143 15:29:36 -10.276249 0.0072 BFGS: 144 15:29:36 -10.263128 1.2118 BFGS: 145 15:29:36 -10.276250 0.0072 BFGS: 146 15:29:36 -10.276251 0.0072 BFGS: 147 15:29:36 -10.113910 1.7771 BFGS: 148 15:29:36 -10.276254 0.0073 BFGS: 149 15:29:36 -10.276255 0.0062 BFGS: 150 15:29:36 -10.276255 0.0073 BFGS: 151 15:29:36 -10.276256 0.0008 BFGS: 152 15:29:36 -10.276256 0.0002 BFGS: 153 15:29:36 -10.276256 0.0002 BFGS: 154 15:29:36 -10.276256 0.0000 BFGS: 155 15:29:36 -10.276256 0.0000 BFGS: 156 15:29:36 -10.276256 0.0000 Minimization converged after 156 steps. Maximum force component: 1.4183515776797137e-10 eV/Angstrom Maximum stress component: 1.5113162200096173e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O'] basis = [[0.33333333 0.66666667 0.69623437] [0.66666666 0.33333334 0.19623437] [0.66666666 0.33333334 0.30376563] [0.33333333 0.66666667 0.80376563]] cellpar = Cell([[5.499972029983154, 2.297225656094821e-16, 6.28954608235864e-36], [-2.749986014991577, 4.763115498069284, 9.011551118409057e-36], [1.22906081409535e-35, 1.9701493513917494e-34, 11.191980207978713]]) forces = [[-5.64936577e-32 1.95699771e-32 -1.41835158e-10] [ 3.38961946e-32 -2.49534029e-45 -1.41835158e-10] [ 1.12987315e-32 -1.95699771e-32 1.41835158e-10] [-5.08442920e-32 2.93549657e-32 1.41835158e-10]] stress = [-1.51131622e-11 -1.51131622e-11 -1.81405317e-12 -7.70728039e-35 -1.92145986e-47 -2.31297325e-27] energy per atom = -2.5690639026576707 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0