element(s): ['C'] AFLOW prototype label: A_hR60_166_2h4i Parameter names: ['a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['9.2078749', '2.8560549', '0.75219325', '0.42948739', '0.74201569', '0.31003192', '0.08367029', '0.52879813', '0.35559978', '0.058799983', '0.54887103', '0.21275644', '0.63749731', '0.89485464', '0.20182745', '0.88256648', '0.72459266', '0.035124446'] model name: Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C'] representative atom coordinates = [[0.10756862 0.89243138 0.14462463] [0.14399459 0.85600541 0.0980211 ] [0.69957705 0.1272246 0.15602273] [0.60594729 0.05793812 0.10680915] [0.62376765 0.68320516 0.0780598 ] [0.48769658 0.8228352 0.04742786]] spacegroup = 166 cell = [[9.2079, 0, 0], [-4.60395, 7.9742753155067, 0], [0, 0, 26.2982]] ========================================= Step Time Energy fmax BFGS: 0 16:04:29 -950.993079 9.5456 BFGS: 1 16:04:30 -969.979760 3.8480 BFGS: 2 16:04:31 -985.805159 2.6041 BFGS: 3 16:04:32 -998.744319 2.3969 BFGS: 4 16:04:32 -1008.761599 2.0192 BFGS: 5 16:04:33 -1016.158761 1.5556 BFGS: 6 16:04:34 -1021.235166 1.0224 BFGS: 7 16:04:34 -1023.793444 0.5978 BFGS: 8 16:04:35 -1024.490140 0.5339 BFGS: 9 16:04:36 -1024.693154 0.5215 BFGS: 10 16:04:36 -1025.138532 0.4727 BFGS: 11 16:04:37 -1025.387758 0.3845 BFGS: 12 16:04:38 -1025.552406 0.2439 BFGS: 13 16:04:39 -1025.633161 0.1731 BFGS: 14 16:04:40 -1025.691428 0.1517 BFGS: 15 16:04:41 -1025.734549 0.1971 BFGS: 16 16:04:42 -1025.765063 0.1720 BFGS: 17 16:04:43 -1025.786548 0.0898 BFGS: 18 16:04:43 -1025.801259 0.0839 BFGS: 19 16:04:44 -1025.809563 0.0748 BFGS: 20 16:04:45 -1025.813309 0.0601 BFGS: 21 16:04:45 -1025.814866 0.0577 BFGS: 22 16:04:46 -1025.815744 0.0587 BFGS: 23 16:04:47 -1025.816661 0.0610 BFGS: 24 16:04:47 -1025.818215 0.0644 BFGS: 25 16:04:48 -1025.820799 0.0681 BFGS: 26 16:04:49 -1025.823988 0.0696 BFGS: 27 16:04:49 -1025.826476 0.0670 BFGS: 28 16:04:50 -1025.827813 0.0628 BFGS: 29 16:04:51 -1025.828747 0.0597 BFGS: 30 16:04:51 -1025.830017 0.0573 BFGS: 31 16:04:52 -1025.831309 0.0571 BFGS: 32 16:04:53 -1025.832302 0.0592 BFGS: 33 16:04:54 -1025.833218 0.0616 BFGS: 34 16:04:54 -1025.834832 0.0645 BFGS: 35 16:04:55 -1025.838358 0.0835 BFGS: 36 16:04:56 -1025.842339 0.0949 BFGS: 37 16:04:57 -1025.846650 0.0965 BFGS: 38 16:04:58 -1025.851087 0.0915 BFGS: 39 16:04:59 -1025.855422 0.0818 BFGS: 40 16:04:59 -1025.859438 0.0685 BFGS: 41 16:05:00 -1025.862967 0.0528 BFGS: 42 16:05:01 -1025.865898 0.0438 BFGS: 43 16:05:01 -1025.868202 0.0382 BFGS: 44 16:05:02 -1025.869941 0.0325 BFGS: 45 16:05:02 -1025.871306 0.0267 BFGS: 46 16:05:03 -1025.872644 0.0352 BFGS: 47 16:05:03 -1025.874322 0.0480 BFGS: 48 16:05:04 -1025.876522 0.0568 BFGS: 49 16:05:04 -1025.879276 0.0610 BFGS: 50 16:05:05 -1025.882515 0.0595 BFGS: 51 16:05:06 -1025.886017 0.0500 BFGS: 52 16:05:06 -1025.888996 0.0242 BFGS: 53 16:05:07 -1025.889411 0.0098 BFGS: 54 16:05:08 -1025.889522 0.0016 BFGS: 55 16:05:09 -1025.889535 0.0002 BFGS: 56 16:05:09 -1025.889536 0.0000 BFGS: 57 16:05:09 -1025.889536 0.0000 BFGS: 58 16:05:10 -1025.889536 0.0000 BFGS: 59 16:05:10 -1025.889536 0.0000 BFGS: 60 16:05:11 -1025.889536 0.0000 BFGS: 61 16:05:12 -1025.889536 0.0000 BFGS: 62 16:05:12 -1025.889536 0.0000 BFGS: 63 16:05:13 -1025.889536 0.0000 BFGS: 64 16:05:13 -1025.889536 0.0000 Minimization converged after 64 steps. Maximum force component: 2.446643088358884e-09 eV/Angstrom Maximum stress component: 3.2560388640541867e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[9.40910550e-02 9.05908945e-01 1.43647479e-01] [9.40910550e-02 1.88182110e-01 1.43647479e-01] [8.11817890e-01 9.05908945e-01 1.43647479e-01] [9.05908945e-01 9.40910550e-02 8.56352521e-01] [1.88182110e-01 9.40910550e-02 8.56352521e-01] [9.05908945e-01 8.11817890e-01 8.56352521e-01] [7.60757722e-01 2.39242278e-01 4.76980813e-01] [7.60757722e-01 5.21515443e-01 4.76980813e-01] [4.78484557e-01 2.39242278e-01 4.76980813e-01] [5.72575612e-01 4.27424388e-01 1.89685854e-01] [8.54848777e-01 4.27424388e-01 1.89685854e-01] [5.72575612e-01 1.45151223e-01 1.89685854e-01] [4.27424388e-01 5.72575612e-01 8.10314146e-01] [4.27424388e-01 8.54848777e-01 8.10314146e-01] [1.45151223e-01 5.72575612e-01 8.10314146e-01] [2.39242278e-01 7.60757722e-01 5.23019187e-01] [5.21515443e-01 7.60757722e-01 5.23019187e-01] [2.39242278e-01 4.78484557e-01 5.23019187e-01] [1.29323312e-01 8.70676688e-01 8.85703886e-02] [1.29323312e-01 2.58646623e-01 8.85703886e-02] [7.41353377e-01 8.70676688e-01 8.85703886e-02] [8.70676688e-01 1.29323312e-01 9.11429611e-01] [2.58646623e-01 1.29323312e-01 9.11429611e-01] [8.70676688e-01 7.41353377e-01 9.11429611e-01] [7.95989978e-01 2.04010022e-01 4.21903722e-01] [7.95989978e-01 5.91979956e-01 4.21903722e-01] [4.08020044e-01 2.04010022e-01 4.21903722e-01] [5.37343355e-01 4.62656645e-01 2.44762945e-01] [9.25313290e-01 4.62656645e-01 2.44762945e-01] [5.37343355e-01 7.46867103e-02 2.44762945e-01] [4.62656645e-01 5.37343355e-01 7.55237055e-01] [4.62656645e-01 9.25313290e-01 7.55237055e-01] [7.46867103e-02 5.37343355e-01 7.55237055e-01] [2.04010022e-01 7.95989978e-01 5.78096278e-01] [5.91979956e-01 7.95989978e-01 5.78096278e-01] [2.04010022e-01 4.08020044e-01 5.78096278e-01] [7.00935679e-01 1.27455117e-01 1.55886743e-01] [8.72544883e-01 5.73480562e-01 1.55886743e-01] [4.26519438e-01 2.99064321e-01 1.55886743e-01] [1.27455117e-01 7.00935679e-01 8.44113257e-01] [5.73480562e-01 8.72544883e-01 8.44113257e-01] [2.99064321e-01 4.26519438e-01 8.44113257e-01] [3.67602345e-01 4.60788450e-01 4.89220076e-01] [5.39211550e-01 9.06813895e-01 4.89220076e-01] [9.31861047e-02 6.32397655e-01 4.89220076e-01] [7.94121783e-01 3.42690120e-02 1.77446590e-01] [2.40147229e-01 2.05878217e-01 1.77446590e-01] [9.65730988e-01 7.59852771e-01 1.77446590e-01] [3.42690120e-02 7.94121783e-01 8.22553410e-01] [2.05878217e-01 2.40147229e-01 8.22553410e-01] [7.59852771e-01 9.65730988e-01 8.22553410e-01] [4.60788450e-01 3.67602345e-01 5.10779924e-01] [9.06813895e-01 5.39211550e-01 5.10779924e-01] [6.32397655e-01 9.31861047e-02 5.10779924e-01] [2.99064321e-01 8.72544883e-01 8.44113257e-01] [1.27455117e-01 4.26519438e-01 8.44113257e-01] [5.73480562e-01 7.00935679e-01 8.44113257e-01] [8.72544883e-01 2.99064321e-01 1.55886743e-01] [4.26519438e-01 1.27455117e-01 1.55886743e-01] [7.00935679e-01 5.73480562e-01 1.55886743e-01] [9.65730988e-01 2.05878217e-01 1.77446590e-01] [7.94121783e-01 7.59852771e-01 1.77446590e-01] [2.40147229e-01 3.42690120e-02 1.77446590e-01] [5.39211550e-01 6.32397655e-01 4.89220076e-01] [9.31861047e-02 4.60788450e-01 4.89220076e-01] [3.67602345e-01 9.06813895e-01 4.89220076e-01] [6.32397655e-01 5.39211550e-01 5.10779924e-01] [4.60788450e-01 9.31861047e-02 5.10779924e-01] [9.06813895e-01 3.67602345e-01 5.10779924e-01] [2.05878217e-01 9.65730988e-01 8.22553410e-01] [7.59852771e-01 7.94121783e-01 8.22553410e-01] [3.42690120e-02 2.40147229e-01 8.22553410e-01] [6.28836362e-01 8.89433553e-02 1.01358543e-01] [9.11056645e-01 5.39893007e-01 1.01358543e-01] [4.60106993e-01 3.71163638e-01 1.01358543e-01] [8.89433553e-02 6.28836362e-01 8.98641457e-01] [5.39893007e-01 9.11056645e-01 8.98641457e-01] [3.71163638e-01 4.60106993e-01 8.98641457e-01] [2.95503029e-01 4.22276689e-01 4.34691877e-01] [5.77723311e-01 8.73226340e-01 4.34691877e-01] [1.26773660e-01 7.04496971e-01 4.34691877e-01] [7.55610022e-01 9.62169695e-01 2.31974790e-01] [2.06559673e-01 2.44389978e-01 2.31974790e-01] [3.78303045e-02 7.93440327e-01 2.31974790e-01] [9.62169695e-01 7.55610022e-01 7.68025210e-01] [2.44389978e-01 2.06559673e-01 7.68025210e-01] [7.93440327e-01 3.78303045e-02 7.68025210e-01] [4.22276689e-01 2.95503029e-01 5.65308123e-01] [8.73226340e-01 5.77723311e-01 5.65308123e-01] [7.04496971e-01 1.26773660e-01 5.65308123e-01] [3.71163638e-01 9.11056645e-01 8.98641457e-01] [8.89433553e-02 4.60106993e-01 8.98641457e-01] [5.39893007e-01 6.28836362e-01 8.98641457e-01] [9.11056645e-01 3.71163638e-01 1.01358543e-01] [4.60106993e-01 8.89433553e-02 1.01358543e-01] [6.28836362e-01 5.39893007e-01 1.01358543e-01] [3.78303045e-02 2.44389978e-01 2.31974790e-01] [7.55610022e-01 7.93440327e-01 2.31974790e-01] [2.06559673e-01 9.62169695e-01 2.31974790e-01] [5.77723311e-01 7.04496971e-01 4.34691877e-01] [1.26773660e-01 4.22276689e-01 4.34691877e-01] [2.95503029e-01 8.73226340e-01 4.34691877e-01] [7.04496971e-01 5.77723311e-01 5.65308123e-01] [4.22276689e-01 1.26773660e-01 5.65308123e-01] [8.73226340e-01 2.95503029e-01 5.65308123e-01] [2.44389978e-01 3.78303045e-02 7.68025210e-01] [7.93440327e-01 7.55610022e-01 7.68025210e-01] [9.62169695e-01 2.06559673e-01 7.68025210e-01] [6.50079997e-01 6.88483109e-01 6.76138591e-02] [3.11516891e-01 9.61596888e-01 6.76138591e-02] [3.84031115e-02 3.49920003e-01 6.76138591e-02] [6.88483109e-01 6.50079997e-01 9.32386141e-01] [9.61596888e-01 3.11516891e-01 9.32386141e-01] [3.49920003e-01 3.84031115e-02 9.32386141e-01] [3.16746664e-01 2.18164422e-02 4.00947192e-01] [9.78183558e-01 2.94930222e-01 4.00947192e-01] [7.05069778e-01 6.83253336e-01 4.00947192e-01] [3.55149776e-01 9.83413331e-01 2.65719474e-01] [6.28263555e-01 6.44850224e-01 2.65719474e-01] [1.65866694e-02 3.71736445e-01 2.65719474e-01] [9.83413331e-01 3.55149776e-01 7.34280526e-01] [6.44850224e-01 6.28263555e-01 7.34280526e-01] [3.71736445e-01 1.65866694e-02 7.34280526e-01] [2.18164422e-02 3.16746664e-01 5.99052808e-01] [2.94930222e-01 9.78183558e-01 5.99052808e-01] [6.83253336e-01 7.05069778e-01 5.99052808e-01] [3.49920003e-01 3.11516891e-01 9.32386141e-01] [6.88483109e-01 3.84031115e-02 9.32386141e-01] [9.61596888e-01 6.50079997e-01 9.32386141e-01] [3.11516891e-01 3.49920003e-01 6.76138591e-02] [3.84031115e-02 6.88483109e-01 6.76138591e-02] [6.50079997e-01 9.61596888e-01 6.76138591e-02] [1.65866694e-02 6.44850224e-01 2.65719474e-01] [3.55149776e-01 3.71736445e-01 2.65719474e-01] [6.28263555e-01 9.83413331e-01 2.65719474e-01] [9.78183558e-01 6.83253336e-01 4.00947192e-01] [7.05069778e-01 2.18164422e-02 4.00947192e-01] [3.16746664e-01 2.94930222e-01 4.00947192e-01] [6.83253336e-01 9.78183558e-01 5.99052808e-01] [2.18164422e-02 7.05069778e-01 5.99052808e-01] [2.94930222e-01 3.16746664e-01 5.99052808e-01] [6.44850224e-01 1.65866694e-02 7.34280526e-01] [3.71736445e-01 3.55149776e-01 7.34280526e-01] [9.83413331e-01 6.28263555e-01 7.34280526e-01] [5.02730505e-01 8.35786261e-01 3.37020490e-02] [1.64213739e-01 6.66944244e-01 3.37020490e-02] [3.33055756e-01 4.97269495e-01 3.37020490e-02] [8.35786261e-01 5.02730505e-01 9.66297951e-01] [6.66944244e-01 1.64213739e-01 9.66297951e-01] [4.97269495e-01 3.33055756e-01 9.66297951e-01] [1.69397171e-01 1.69119594e-01 3.67035382e-01] [8.30880406e-01 2.77577129e-04 3.67035382e-01] [9.99722423e-01 8.30602829e-01 3.67035382e-01] [5.02452928e-01 8.36063838e-01 2.99631284e-01] [3.33610910e-01 4.97547072e-01 2.99631284e-01] [1.63936162e-01 6.66389090e-01 2.99631284e-01] [8.36063838e-01 5.02452928e-01 7.00368716e-01] [4.97547072e-01 3.33610910e-01 7.00368716e-01] [6.66389090e-01 1.63936162e-01 7.00368716e-01] [1.69119594e-01 1.69397171e-01 6.32964618e-01] [2.77577129e-04 8.30880406e-01 6.32964618e-01] [8.30602829e-01 9.99722423e-01 6.32964618e-01] [4.97269495e-01 1.64213739e-01 9.66297951e-01] [8.35786261e-01 3.33055756e-01 9.66297951e-01] [6.66944244e-01 5.02730505e-01 9.66297951e-01] [1.64213739e-01 4.97269495e-01 3.37020490e-02] [3.33055756e-01 8.35786261e-01 3.37020490e-02] [5.02730505e-01 6.66944244e-01 3.37020490e-02] [1.63936162e-01 4.97547072e-01 2.99631284e-01] [5.02452928e-01 6.66389090e-01 2.99631284e-01] [3.33610910e-01 8.36063838e-01 2.99631284e-01] [8.30880406e-01 8.30602829e-01 3.67035382e-01] [9.99722423e-01 1.69119594e-01 3.67035382e-01] [1.69397171e-01 2.77577129e-04 3.67035382e-01] [8.30602829e-01 8.30880406e-01 6.32964618e-01] [1.69119594e-01 9.99722423e-01 6.32964618e-01] [2.77577129e-04 1.69397171e-01 6.32964618e-01] [4.97547072e-01 1.63936162e-01 7.00368716e-01] [6.66389090e-01 5.02452928e-01 7.00368716e-01] [8.36063838e-01 3.33610910e-01 7.00368716e-01]] cellpar = Cell([[9.168884380681385, 3.925610687070563e-18, -2.701556899401984e-38], [-4.584442190340693, 7.940486798032425, 3.278064589639093e-38], [3.892406204855625e-37, -1.1632798455888312e-36, 26.365513986279865]]) forces = [[-3.11251995e-11 1.79701423e-11 1.17340080e-10] [ 2.26757309e-27 -3.59402846e-11 1.17340080e-10] [ 3.11251995e-11 1.79701423e-11 1.17340080e-10] [ 3.11251995e-11 -1.79701423e-11 -1.17340080e-10] [-3.11251995e-11 -1.79701423e-11 -1.17340080e-10] [ 5.13899273e-27 3.59402846e-11 -1.17340080e-10] [-3.11251995e-11 1.79701423e-11 1.17340080e-10] [-1.43570982e-27 -3.59402846e-11 1.17340080e-10] [ 3.11251995e-11 1.79701423e-11 1.17340080e-10] [ 3.11251995e-11 -1.79701423e-11 -1.17340080e-10] [-3.11251995e-11 -1.79701423e-11 -1.17340080e-10] [-1.56643788e-26 3.59402846e-11 -1.17340080e-10] [-3.11251995e-11 1.79701423e-11 1.17340080e-10] [-1.43570982e-27 -3.59402846e-11 1.17340080e-10] [ 3.11251995e-11 1.79701423e-11 1.17340080e-10] [ 3.11251995e-11 -1.79701423e-11 -1.17340080e-10] [-3.11251995e-11 -1.79701423e-11 -1.17340080e-10] [ 1.43570982e-27 3.59402846e-11 -1.17340080e-10] [ 1.32366274e-09 -7.64217037e-10 -2.44664309e-09] [-6.12805150e-25 1.52843407e-09 -2.44664309e-09] [-1.32366274e-09 -7.64217037e-10 -2.44664309e-09] [-1.32366274e-09 7.64217037e-10 2.44664309e-09] [ 1.32366274e-09 7.64217037e-10 2.44664309e-09] [ 8.07097903e-26 -1.52843407e-09 2.44664309e-09] [ 1.32366274e-09 -7.64217037e-10 -2.44664309e-09] [-1.68999890e-25 1.52843407e-09 -2.44664309e-09] [-1.32366274e-09 -7.64217037e-10 -2.44664309e-09] [-1.32366274e-09 7.64217037e-10 2.44664309e-09] [ 1.32366274e-09 7.64217037e-10 2.44664309e-09] [ 1.53892414e-25 -1.52843407e-09 2.44664309e-09] [ 1.32366274e-09 -7.64217037e-10 -2.44664309e-09] [ 6.15213052e-25 1.52843407e-09 -2.44664309e-09] [-1.32366274e-09 -7.64217037e-10 -2.44664309e-09] [-1.32366274e-09 7.64217037e-10 2.44664309e-09] [ 1.32366274e-09 7.64217037e-10 2.44664309e-09] [-4.96707999e-25 -1.52843407e-09 2.44664309e-09] [-4.20872138e-10 2.45848505e-10 -6.66482286e-11] [-2.47498180e-12 -4.87410216e-10 -6.66482286e-11] [ 4.23347120e-10 2.41561711e-10 -6.66482286e-11] [ 4.23347120e-10 -2.41561711e-10 6.66482286e-11] [-4.20872138e-10 -2.45848505e-10 6.66482286e-11] [-2.47498180e-12 4.87410216e-10 6.66482286e-11] [-4.20872138e-10 2.45848505e-10 -6.66482286e-11] [-2.47498180e-12 -4.87410216e-10 -6.66482286e-11] [ 4.23347120e-10 2.41561711e-10 -6.66482286e-11] [ 4.23347120e-10 -2.41561711e-10 6.66482286e-11] [-4.20872138e-10 -2.45848505e-10 6.66482286e-11] [-2.47498180e-12 4.87410216e-10 6.66482286e-11] [-4.20872138e-10 2.45848505e-10 -6.66482286e-11] [-2.47498180e-12 -4.87410216e-10 -6.66482286e-11] [ 4.23347120e-10 2.41561711e-10 -6.66482286e-11] [ 4.23347120e-10 -2.41561711e-10 6.66482286e-11] [-4.20872138e-10 -2.45848505e-10 6.66482286e-11] [-2.47498180e-12 4.87410216e-10 6.66482286e-11] [ 4.20872138e-10 -2.45848505e-10 6.66482286e-11] [ 2.47498180e-12 4.87410216e-10 6.66482286e-11] [-4.23347120e-10 -2.41561711e-10 6.66482286e-11] [-4.23347120e-10 2.41561711e-10 -6.66482286e-11] [ 4.20872138e-10 2.45848505e-10 -6.66482286e-11] [ 2.47498180e-12 -4.87410216e-10 -6.66482286e-11] [ 4.20872138e-10 -2.45848505e-10 6.66482286e-11] [ 2.47498180e-12 4.87410216e-10 6.66482286e-11] [-4.23347120e-10 -2.41561711e-10 6.66482286e-11] [-4.23347120e-10 2.41561711e-10 -6.66482286e-11] [ 4.20872138e-10 2.45848505e-10 -6.66482286e-11] [ 2.47498180e-12 -4.87410216e-10 -6.66482286e-11] [ 4.20872138e-10 -2.45848505e-10 6.66482286e-11] [ 2.47498180e-12 4.87410216e-10 6.66482286e-11] [-4.23347120e-10 -2.41561711e-10 6.66482286e-11] [-4.23347120e-10 2.41561711e-10 -6.66482286e-11] [ 4.20872138e-10 2.45848505e-10 -6.66482286e-11] [ 2.47498180e-12 -4.87410216e-10 -6.66482286e-11] [-1.55838392e-09 -1.01686556e-09 -7.89764405e-10] [ 1.65982337e-09 -8.41167283e-10 -7.89764405e-10] [-1.01439447e-10 1.85803284e-09 -7.89764405e-10] [-1.01439447e-10 -1.85803284e-09 7.89764405e-10] [-1.55838392e-09 1.01686556e-09 7.89764405e-10] [ 1.65982337e-09 8.41167283e-10 7.89764405e-10] [-1.55838392e-09 -1.01686556e-09 -7.89764405e-10] [ 1.65982337e-09 -8.41167283e-10 -7.89764405e-10] [-1.01439447e-10 1.85803284e-09 -7.89764405e-10] [-1.01439447e-10 -1.85803284e-09 7.89764405e-10] [-1.55838392e-09 1.01686556e-09 7.89764405e-10] [ 1.65982337e-09 8.41167283e-10 7.89764405e-10] [-1.55838392e-09 -1.01686556e-09 -7.89764405e-10] [ 1.65982337e-09 -8.41167283e-10 -7.89764405e-10] [-1.01439447e-10 1.85803284e-09 -7.89764405e-10] [-1.01439447e-10 -1.85803284e-09 7.89764405e-10] [-1.55838392e-09 1.01686556e-09 7.89764405e-10] [ 1.65982337e-09 8.41167283e-10 7.89764405e-10] [ 1.55838392e-09 1.01686556e-09 7.89764405e-10] [-1.65982337e-09 8.41167283e-10 7.89764405e-10] [ 1.01439447e-10 -1.85803284e-09 7.89764405e-10] [ 1.01439447e-10 1.85803284e-09 -7.89764405e-10] [ 1.55838392e-09 -1.01686556e-09 -7.89764405e-10] [-1.65982337e-09 -8.41167283e-10 -7.89764405e-10] [ 1.55838392e-09 1.01686556e-09 7.89764405e-10] [-1.65982337e-09 8.41167283e-10 7.89764405e-10] [ 1.01439447e-10 -1.85803284e-09 7.89764405e-10] [ 1.01439447e-10 1.85803284e-09 -7.89764405e-10] [ 1.55838392e-09 -1.01686556e-09 -7.89764405e-10] [-1.65982337e-09 -8.41167283e-10 -7.89764405e-10] [ 1.55838392e-09 1.01686556e-09 7.89764405e-10] [-1.65982337e-09 8.41167283e-10 7.89764405e-10] [ 1.01439447e-10 -1.85803284e-09 7.89764405e-10] [ 1.01439447e-10 1.85803284e-09 -7.89764405e-10] [ 1.55838392e-09 -1.01686556e-09 -7.89764405e-10] [-1.65982337e-09 -8.41167283e-10 -7.89764405e-10] [-1.30049839e-10 1.97243627e-09 8.50333297e-10] [-1.64315500e-09 -1.09884460e-09 8.50333297e-10] [ 1.77320484e-09 -8.73591670e-10 8.50333297e-10] [ 1.77320484e-09 8.73591670e-10 -8.50333297e-10] [-1.30049839e-10 -1.97243627e-09 -8.50333297e-10] [-1.64315500e-09 1.09884460e-09 -8.50333297e-10] [-1.30049839e-10 1.97243627e-09 8.50333297e-10] [-1.64315500e-09 -1.09884460e-09 8.50333297e-10] [ 1.77320484e-09 -8.73591670e-10 8.50333297e-10] [ 1.77320484e-09 8.73591670e-10 -8.50333297e-10] [-1.30049839e-10 -1.97243627e-09 -8.50333297e-10] [-1.64315500e-09 1.09884460e-09 -8.50333297e-10] [-1.30049839e-10 1.97243627e-09 8.50333297e-10] [-1.64315500e-09 -1.09884460e-09 8.50333297e-10] [ 1.77320484e-09 -8.73591670e-10 8.50333297e-10] [ 1.77320484e-09 8.73591670e-10 -8.50333297e-10] [-1.30049839e-10 -1.97243627e-09 -8.50333297e-10] [-1.64315500e-09 1.09884460e-09 -8.50333297e-10] [ 1.30049839e-10 -1.97243627e-09 -8.50333297e-10] [ 1.64315500e-09 1.09884460e-09 -8.50333297e-10] [-1.77320484e-09 8.73591670e-10 -8.50333297e-10] [-1.77320484e-09 -8.73591670e-10 8.50333297e-10] [ 1.30049839e-10 1.97243627e-09 8.50333297e-10] [ 1.64315500e-09 -1.09884460e-09 8.50333297e-10] [ 1.30049839e-10 -1.97243627e-09 -8.50333297e-10] [ 1.64315500e-09 1.09884460e-09 -8.50333297e-10] [-1.77320484e-09 8.73591670e-10 -8.50333297e-10] [-1.77320484e-09 -8.73591670e-10 8.50333297e-10] [ 1.30049839e-10 1.97243627e-09 8.50333297e-10] [ 1.64315500e-09 -1.09884460e-09 8.50333297e-10] [ 1.30049839e-10 -1.97243627e-09 -8.50333297e-10] [ 1.64315500e-09 1.09884460e-09 -8.50333297e-10] [-1.77320484e-09 8.73591670e-10 -8.50333297e-10] [-1.77320484e-09 -8.73591670e-10 8.50333297e-10] [ 1.30049839e-10 1.97243627e-09 8.50333297e-10] [ 1.64315500e-09 -1.09884460e-09 8.50333297e-10] [ 1.73956135e-09 1.27994167e-09 5.18068695e-10] [-1.97824268e-09 8.66533488e-10 5.18068695e-10] [ 2.38681327e-10 -2.14647516e-09 5.18068695e-10] [ 2.38681327e-10 2.14647516e-09 -5.18068695e-10] [ 1.73956135e-09 -1.27994167e-09 -5.18068695e-10] [-1.97824268e-09 -8.66533488e-10 -5.18068695e-10] [ 1.73956135e-09 1.27994167e-09 5.18068695e-10] [-1.97824268e-09 8.66533488e-10 5.18068695e-10] [ 2.38681327e-10 -2.14647516e-09 5.18068695e-10] [ 2.38681327e-10 2.14647516e-09 -5.18068695e-10] [ 1.73956135e-09 -1.27994167e-09 -5.18068695e-10] [-1.97824268e-09 -8.66533488e-10 -5.18068695e-10] [ 1.73956135e-09 1.27994167e-09 5.18068695e-10] [-1.97824268e-09 8.66533488e-10 5.18068695e-10] [ 2.38681327e-10 -2.14647516e-09 5.18068695e-10] [ 2.38681327e-10 2.14647516e-09 -5.18068695e-10] [ 1.73956135e-09 -1.27994167e-09 -5.18068695e-10] [-1.97824268e-09 -8.66533488e-10 -5.18068695e-10] [-1.73956135e-09 -1.27994167e-09 -5.18068695e-10] [ 1.97824268e-09 -8.66533488e-10 -5.18068695e-10] [-2.38681327e-10 2.14647516e-09 -5.18068695e-10] [-2.38681327e-10 -2.14647516e-09 5.18068695e-10] [-1.73956135e-09 1.27994167e-09 5.18068695e-10] [ 1.97824268e-09 8.66533488e-10 5.18068695e-10] [-1.73956135e-09 -1.27994167e-09 -5.18068695e-10] [ 1.97824268e-09 -8.66533488e-10 -5.18068695e-10] [-2.38681327e-10 2.14647516e-09 -5.18068695e-10] [-2.38681327e-10 -2.14647516e-09 5.18068695e-10] [-1.73956135e-09 1.27994167e-09 5.18068695e-10] [ 1.97824268e-09 8.66533488e-10 5.18068695e-10] [-1.73956135e-09 -1.27994167e-09 -5.18068695e-10] [ 1.97824268e-09 -8.66533488e-10 -5.18068695e-10] [-2.38681327e-10 2.14647516e-09 -5.18068695e-10] [-2.38681327e-10 -2.14647516e-09 5.18068695e-10] [-1.73956135e-09 1.27994167e-09 5.18068695e-10] [ 1.97824268e-09 8.66533488e-10 5.18068695e-10]] stress = [ 3.25603886e-11 3.25603886e-11 3.27812858e-12 -1.16794359e-47 -5.01181209e-48 -6.82413418e-28] energy per atom = -5.699386309028828 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0