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 15:13:26 -950.993079 9.545568 BFGS: 1 15:13:27 -969.979760 3.847971 BFGS: 2 15:13:28 -985.805159 2.604123 BFGS: 3 15:13:28 -998.744319 2.396861 BFGS: 4 15:13:29 -1008.761599 2.019234 BFGS: 5 15:13:29 -1016.158761 1.555570 BFGS: 6 15:13:30 -1021.235166 1.022376 BFGS: 7 15:13:31 -1023.793444 0.597803 BFGS: 8 15:13:31 -1024.490140 0.533920 BFGS: 9 15:13:32 -1024.693154 0.521504 BFGS: 10 15:13:32 -1025.138532 0.472667 BFGS: 11 15:13:32 -1025.387758 0.384493 BFGS: 12 15:13:33 -1025.552406 0.243940 BFGS: 13 15:13:34 -1025.633161 0.173076 BFGS: 14 15:13:34 -1025.691428 0.151674 BFGS: 15 15:13:34 -1025.734549 0.197114 BFGS: 16 15:13:35 -1025.765063 0.171979 BFGS: 17 15:13:35 -1025.786548 0.089782 BFGS: 18 15:13:35 -1025.801259 0.083867 BFGS: 19 15:13:36 -1025.809563 0.074809 BFGS: 20 15:13:36 -1025.813309 0.060137 BFGS: 21 15:13:36 -1025.814866 0.057653 BFGS: 22 15:13:37 -1025.815744 0.058703 BFGS: 23 15:13:37 -1025.816661 0.061016 BFGS: 24 15:13:37 -1025.818215 0.064438 BFGS: 25 15:13:38 -1025.820799 0.068134 BFGS: 26 15:13:38 -1025.823988 0.069650 BFGS: 27 15:13:38 -1025.826476 0.067011 BFGS: 28 15:13:39 -1025.827813 0.062790 BFGS: 29 15:13:39 -1025.828747 0.059723 BFGS: 30 15:13:39 -1025.830017 0.057282 BFGS: 31 15:13:40 -1025.831309 0.057149 BFGS: 32 15:13:40 -1025.832302 0.059152 BFGS: 33 15:13:40 -1025.833218 0.061607 BFGS: 34 15:13:41 -1025.834832 0.064471 BFGS: 35 15:13:41 -1025.838358 0.083476 BFGS: 36 15:13:41 -1025.842339 0.094928 BFGS: 37 15:13:42 -1025.846650 0.096539 BFGS: 38 15:13:42 -1025.851087 0.091538 BFGS: 39 15:13:43 -1025.855422 0.081759 BFGS: 40 15:13:43 -1025.859438 0.068495 BFGS: 41 15:13:44 -1025.862967 0.052771 BFGS: 42 15:13:45 -1025.865898 0.043751 BFGS: 43 15:13:45 -1025.868202 0.038179 BFGS: 44 15:13:45 -1025.869941 0.032461 BFGS: 45 15:13:46 -1025.871306 0.026686 BFGS: 46 15:13:46 -1025.872644 0.035188 BFGS: 47 15:13:46 -1025.874322 0.048017 BFGS: 48 15:13:47 -1025.876522 0.056849 BFGS: 49 15:13:47 -1025.879276 0.061031 BFGS: 50 15:13:48 -1025.882515 0.059527 BFGS: 51 15:13:48 -1025.886017 0.049999 BFGS: 52 15:13:48 -1025.888996 0.024188 BFGS: 53 15:13:49 -1025.889411 0.009777 BFGS: 54 15:13:49 -1025.889522 0.001637 BFGS: 55 15:13:50 -1025.889535 0.000202 BFGS: 56 15:13:50 -1025.889536 0.000047 BFGS: 57 15:13:51 -1025.889536 0.000027 BFGS: 58 15:13:51 -1025.889536 0.000013 BFGS: 59 15:13:52 -1025.889536 0.000003 BFGS: 60 15:13:52 -1025.889536 0.000001 BFGS: 61 15:13:52 -1025.889536 0.000000 BFGS: 62 15:13:53 -1025.889536 0.000000 BFGS: 63 15:13:53 -1025.889536 0.000000 BFGS: 64 15:13:53 -1025.889536 0.000000 Minimization converged after 64 steps. Maximum force component: 2.446618897061771e-09 eV/Angstrom Maximum stress component: 3.2561422314367506e-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([[9.168884380681396, -1.4315794880767554e-18, -1.4983044168337832e-37], [-4.584442190340698, 7.940486798032421, -3.7501634585295894e-37], [2.9149431614517746e-36, -1.1549572182949671e-36, 26.36551398627936]]) forces = [[-3.11107839e-11 1.79618195e-11 1.17333555e-10] [ 8.79347854e-27 -3.59236390e-11 1.17333555e-10] [ 3.11107839e-11 1.79618195e-11 1.17333555e-10] [ 3.11107839e-11 -1.79618195e-11 -1.17333555e-10] [-3.11107839e-11 -1.79618195e-11 -1.17333555e-10] [ 8.77871872e-27 3.59236390e-11 -1.17333555e-10] [-3.11107839e-11 1.79618195e-11 1.17333555e-10] [-8.77871872e-27 -3.59236390e-11 1.17333555e-10] [ 3.11107839e-11 1.79618195e-11 1.17333555e-10] [ 3.11107839e-11 -1.79618195e-11 -1.17333555e-10] [-3.11107839e-11 -1.79618195e-11 -1.17333555e-10] [-1.38691273e-27 3.59236390e-11 -1.17333555e-10] [-3.11107839e-11 1.79618195e-11 1.17333555e-10] [ 4.61808699e-27 -3.59236390e-11 1.17333555e-10] [ 3.11107839e-11 1.79618195e-11 1.17333555e-10] [ 3.11107839e-11 -1.79618195e-11 -1.17333555e-10] [-3.11107839e-11 -1.79618195e-11 -1.17333555e-10] [-8.32136990e-27 3.59236390e-11 -1.17333555e-10] [ 1.32365739e-09 -7.64213951e-10 -2.44661890e-09] [ 2.02070712e-25 1.52842790e-09 -2.44661890e-09] [-1.32365739e-09 -7.64213951e-10 -2.44661890e-09] [-1.32365739e-09 7.64213951e-10 2.44661890e-09] [ 1.32365739e-09 7.64213951e-10 2.44661890e-09] [ 5.97249707e-25 -1.52842790e-09 2.44661890e-09] [ 1.32365739e-09 -7.64213951e-10 -2.44661890e-09] [-6.12357183e-25 1.52842790e-09 -2.44661890e-09] [-1.32365739e-09 -7.64213951e-10 -2.44661890e-09] [-1.32365739e-09 7.64213951e-10 2.44661890e-09] [ 1.32365739e-09 7.64213951e-10 2.44661890e-09] [-4.23973342e-25 -1.52842790e-09 2.44661890e-09] [ 1.32365739e-09 -7.64213951e-10 -2.44661890e-09] [-2.41734547e-25 1.52842790e-09 -2.44661890e-09] [-1.32365739e-09 -7.64213951e-10 -2.44661890e-09] [-1.32365739e-09 7.64213951e-10 2.44661890e-09] [ 1.32365739e-09 7.64213951e-10 2.44661890e-09] [ 3.60239601e-25 -1.52842790e-09 2.44661890e-09] [-4.20902956e-10 2.45852042e-10 -6.66833235e-11] [-2.46263622e-12 -4.87438674e-10 -6.66833235e-11] [ 4.23365592e-10 2.41586631e-10 -6.66833235e-11] [ 4.23365592e-10 -2.41586631e-10 6.66833235e-11] [-4.20902956e-10 -2.45852042e-10 6.66833235e-11] [-2.46263622e-12 4.87438674e-10 6.66833235e-11] [-4.20902956e-10 2.45852042e-10 -6.66833235e-11] [-2.46263622e-12 -4.87438674e-10 -6.66833235e-11] [ 4.23365592e-10 2.41586631e-10 -6.66833235e-11] [ 4.23365592e-10 -2.41586631e-10 6.66833235e-11] [-4.20902956e-10 -2.45852042e-10 6.66833235e-11] [-2.46263622e-12 4.87438674e-10 6.66833235e-11] [-4.20902956e-10 2.45852042e-10 -6.66833235e-11] [-2.46263622e-12 -4.87438674e-10 -6.66833235e-11] [ 4.23365592e-10 2.41586631e-10 -6.66833235e-11] [ 4.23365592e-10 -2.41586631e-10 6.66833235e-11] [-4.20902956e-10 -2.45852042e-10 6.66833235e-11] [-2.46263622e-12 4.87438674e-10 6.66833235e-11] [ 4.20902956e-10 -2.45852042e-10 6.66833235e-11] [ 2.46263622e-12 4.87438674e-10 6.66833235e-11] [-4.23365592e-10 -2.41586631e-10 6.66833235e-11] [-4.23365592e-10 2.41586631e-10 -6.66833235e-11] [ 4.20902956e-10 2.45852042e-10 -6.66833235e-11] [ 2.46263622e-12 -4.87438674e-10 -6.66833235e-11] [ 4.20902956e-10 -2.45852042e-10 6.66833235e-11] [ 2.46263622e-12 4.87438674e-10 6.66833235e-11] [-4.23365592e-10 -2.41586631e-10 6.66833235e-11] [-4.23365592e-10 2.41586631e-10 -6.66833235e-11] [ 4.20902956e-10 2.45852042e-10 -6.66833235e-11] [ 2.46263622e-12 -4.87438674e-10 -6.66833235e-11] [ 4.20902956e-10 -2.45852042e-10 6.66833235e-11] [ 2.46263622e-12 4.87438674e-10 6.66833235e-11] [-4.23365592e-10 -2.41586631e-10 6.66833235e-11] [-4.23365592e-10 2.41586631e-10 -6.66833235e-11] [ 4.20902956e-10 2.45852042e-10 -6.66833235e-11] [ 2.46263622e-12 -4.87438674e-10 -6.66833235e-11] [-1.55835568e-09 -1.01688291e-09 -7.89758574e-10] [ 1.65982428e-09 -8.41134149e-10 -7.89758574e-10] [-1.01468597e-10 1.85801706e-09 -7.89758574e-10] [-1.01468597e-10 -1.85801706e-09 7.89758574e-10] [-1.55835568e-09 1.01688291e-09 7.89758574e-10] [ 1.65982428e-09 8.41134149e-10 7.89758574e-10] [-1.55835568e-09 -1.01688291e-09 -7.89758574e-10] [ 1.65982428e-09 -8.41134149e-10 -7.89758574e-10] [-1.01468597e-10 1.85801706e-09 -7.89758574e-10] [-1.01468597e-10 -1.85801706e-09 7.89758574e-10] [-1.55835568e-09 1.01688291e-09 7.89758574e-10] [ 1.65982428e-09 8.41134149e-10 7.89758574e-10] [-1.55835568e-09 -1.01688291e-09 -7.89758574e-10] [ 1.65982428e-09 -8.41134149e-10 -7.89758574e-10] [-1.01468597e-10 1.85801706e-09 -7.89758574e-10] [-1.01468597e-10 -1.85801706e-09 7.89758574e-10] [-1.55835568e-09 1.01688291e-09 7.89758574e-10] [ 1.65982428e-09 8.41134149e-10 7.89758574e-10] [ 1.55835568e-09 1.01688291e-09 7.89758574e-10] [-1.65982428e-09 8.41134149e-10 7.89758574e-10] [ 1.01468597e-10 -1.85801706e-09 7.89758574e-10] [ 1.01468597e-10 1.85801706e-09 -7.89758574e-10] [ 1.55835568e-09 -1.01688291e-09 -7.89758574e-10] [-1.65982428e-09 -8.41134149e-10 -7.89758574e-10] [ 1.55835568e-09 1.01688291e-09 7.89758574e-10] [-1.65982428e-09 8.41134149e-10 7.89758574e-10] [ 1.01468597e-10 -1.85801706e-09 7.89758574e-10] [ 1.01468597e-10 1.85801706e-09 -7.89758574e-10] [ 1.55835568e-09 -1.01688291e-09 -7.89758574e-10] [-1.65982428e-09 -8.41134149e-10 -7.89758574e-10] [ 1.55835568e-09 1.01688291e-09 7.89758574e-10] [-1.65982428e-09 8.41134149e-10 7.89758574e-10] [ 1.01468597e-10 -1.85801706e-09 7.89758574e-10] [ 1.01468597e-10 1.85801706e-09 -7.89758574e-10] [ 1.55835568e-09 -1.01688291e-09 -7.89758574e-10] [-1.65982428e-09 -8.41134149e-10 -7.89758574e-10] [-1.30033831e-10 1.97239922e-09 8.50356689e-10] [-1.64313092e-09 -1.09881221e-09 8.50356689e-10] [ 1.77316475e-09 -8.73587009e-10 8.50356689e-10] [ 1.77316475e-09 8.73587009e-10 -8.50356689e-10] [-1.30033831e-10 -1.97239922e-09 -8.50356689e-10] [-1.64313092e-09 1.09881221e-09 -8.50356689e-10] [-1.30033831e-10 1.97239922e-09 8.50356689e-10] [-1.64313092e-09 -1.09881221e-09 8.50356689e-10] [ 1.77316475e-09 -8.73587009e-10 8.50356689e-10] [ 1.77316475e-09 8.73587009e-10 -8.50356689e-10] [-1.30033831e-10 -1.97239922e-09 -8.50356689e-10] [-1.64313092e-09 1.09881221e-09 -8.50356689e-10] [-1.30033831e-10 1.97239922e-09 8.50356689e-10] [-1.64313092e-09 -1.09881221e-09 8.50356689e-10] [ 1.77316475e-09 -8.73587009e-10 8.50356689e-10] [ 1.77316475e-09 8.73587009e-10 -8.50356689e-10] [-1.30033831e-10 -1.97239922e-09 -8.50356689e-10] [-1.64313092e-09 1.09881221e-09 -8.50356689e-10] [ 1.30033831e-10 -1.97239922e-09 -8.50356689e-10] [ 1.64313092e-09 1.09881221e-09 -8.50356689e-10] [-1.77316475e-09 8.73587009e-10 -8.50356689e-10] [-1.77316475e-09 -8.73587009e-10 8.50356689e-10] [ 1.30033831e-10 1.97239922e-09 8.50356689e-10] [ 1.64313092e-09 -1.09881221e-09 8.50356689e-10] [ 1.30033831e-10 -1.97239922e-09 -8.50356689e-10] [ 1.64313092e-09 1.09881221e-09 -8.50356689e-10] [-1.77316475e-09 8.73587009e-10 -8.50356689e-10] [-1.77316475e-09 -8.73587009e-10 8.50356689e-10] [ 1.30033831e-10 1.97239922e-09 8.50356689e-10] [ 1.64313092e-09 -1.09881221e-09 8.50356689e-10] [ 1.30033831e-10 -1.97239922e-09 -8.50356689e-10] [ 1.64313092e-09 1.09881221e-09 -8.50356689e-10] [-1.77316475e-09 8.73587009e-10 -8.50356689e-10] [-1.77316475e-09 -8.73587009e-10 8.50356689e-10] [ 1.30033831e-10 1.97239922e-09 8.50356689e-10] [ 1.64313092e-09 -1.09881221e-09 8.50356689e-10] [ 1.73957287e-09 1.27990816e-09 5.18063070e-10] [-1.97821942e-09 8.66560214e-10 5.18063070e-10] [ 2.38646549e-10 -2.14646838e-09 5.18063070e-10] [ 2.38646549e-10 2.14646838e-09 -5.18063070e-10] [ 1.73957287e-09 -1.27990816e-09 -5.18063070e-10] [-1.97821942e-09 -8.66560214e-10 -5.18063070e-10] [ 1.73957287e-09 1.27990816e-09 5.18063070e-10] [-1.97821942e-09 8.66560214e-10 5.18063070e-10] [ 2.38646549e-10 -2.14646838e-09 5.18063070e-10] [ 2.38646549e-10 2.14646838e-09 -5.18063070e-10] [ 1.73957287e-09 -1.27990816e-09 -5.18063070e-10] [-1.97821942e-09 -8.66560214e-10 -5.18063070e-10] [ 1.73957287e-09 1.27990816e-09 5.18063070e-10] [-1.97821942e-09 8.66560214e-10 5.18063070e-10] [ 2.38646549e-10 -2.14646838e-09 5.18063070e-10] [ 2.38646549e-10 2.14646838e-09 -5.18063070e-10] [ 1.73957287e-09 -1.27990816e-09 -5.18063070e-10] [-1.97821942e-09 -8.66560214e-10 -5.18063070e-10] [-1.73957287e-09 -1.27990816e-09 -5.18063070e-10] [ 1.97821942e-09 -8.66560214e-10 -5.18063070e-10] [-2.38646549e-10 2.14646838e-09 -5.18063070e-10] [-2.38646549e-10 -2.14646838e-09 5.18063070e-10] [-1.73957287e-09 1.27990816e-09 5.18063070e-10] [ 1.97821942e-09 8.66560214e-10 5.18063070e-10] [-1.73957287e-09 -1.27990816e-09 -5.18063070e-10] [ 1.97821942e-09 -8.66560214e-10 -5.18063070e-10] [-2.38646549e-10 2.14646838e-09 -5.18063070e-10] [-2.38646549e-10 -2.14646838e-09 5.18063070e-10] [-1.73957287e-09 1.27990816e-09 5.18063070e-10] [ 1.97821942e-09 8.66560214e-10 5.18063070e-10] [-1.73957287e-09 -1.27990816e-09 -5.18063070e-10] [ 1.97821942e-09 -8.66560214e-10 -5.18063070e-10] [-2.38646549e-10 2.14646838e-09 -5.18063070e-10] [-2.38646549e-10 -2.14646838e-09 5.18063070e-10] [-1.73957287e-09 1.27990816e-09 5.18063070e-10] [ 1.97821942e-09 8.66560214e-10 5.18063070e-10]] stress = [ 3.25614223e-11 3.25614223e-11 3.27952778e-12 -1.67469046e-33 -2.90064896e-33 -8.20412069e-27] energy per atom = -5.699386309028823 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0