element(s): ['C'] AFLOW prototype label: A_cF240_202_h2i Parameter names: ['a', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.9028', '0.54695135', '0.26622863', '0.59565647', '0.79644753', '0.57883118', '0.67452263', '0.34523288', '0.048719901'] model name: Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C'] representative atom coordinates = [[0. 0.04695135 0.76622863] [0.59565647 0.79644753 0.57883118] [0.67452263 0.34523288 0.0487199 ]] spacegroup = 202 cell = [[14.9028, 0, 0], [0, 14.9028, 0], [0, 0, 14.9028]] ========================================= Step Time Energy fmax BFGS: 0 17:39:22 -788.422456 23.5115 BFGS: 1 17:39:23 -1028.731778 17.0388 BFGS: 2 17:39:23 -1125.501949 8.3292 BFGS: 3 17:39:23 -1137.997206 6.2479 BFGS: 4 17:39:23 -1155.782724 5.1494 BFGS: 5 17:39:24 -1185.632874 4.6844 BFGS: 6 17:39:24 -1204.751382 3.0097 BFGS: 7 17:39:24 -1215.825209 3.3836 BFGS: 8 17:39:24 -1223.489771 1.0585 BFGS: 9 17:39:24 -1226.361115 1.0751 BFGS: 10 17:39:25 -1227.545684 1.1856 BFGS: 11 17:39:25 -1229.317052 1.1520 BFGS: 12 17:39:25 -1231.166851 0.9235 BFGS: 13 17:39:25 -1232.572431 0.5037 BFGS: 14 17:39:26 -1233.021351 0.1714 BFGS: 15 17:39:26 -1233.072327 0.1176 BFGS: 16 17:39:26 -1233.087378 0.0890 BFGS: 17 17:39:27 -1233.099212 0.0458 BFGS: 18 17:39:27 -1233.105181 0.0331 BFGS: 19 17:39:28 -1233.107489 0.0265 BFGS: 20 17:39:28 -1233.108984 0.0227 BFGS: 21 17:39:28 -1233.111060 0.0197 BFGS: 22 17:39:29 -1233.112950 0.0153 BFGS: 23 17:39:29 -1233.114140 0.0155 BFGS: 24 17:39:30 -1233.114922 0.0142 BFGS: 25 17:39:30 -1233.115959 0.0134 BFGS: 26 17:39:31 -1233.117495 0.0113 BFGS: 27 17:39:32 -1233.118894 0.0063 BFGS: 28 17:39:34 -1233.119444 0.0024 BFGS: 29 17:39:35 -1233.119522 0.0016 BFGS: 30 17:39:36 -1233.119531 0.0017 BFGS: 31 17:39:37 -1233.119539 0.0018 BFGS: 32 17:39:37 -1233.119558 0.0017 BFGS: 33 17:39:38 -1233.119579 0.0014 BFGS: 34 17:39:38 -1233.119594 0.0007 BFGS: 35 17:39:39 -1233.119597 0.0002 BFGS: 36 17:39:39 -1233.119597 0.0000 BFGS: 37 17:39:40 -1233.119597 0.0000 BFGS: 38 17:39:41 -1233.119597 0.0000 BFGS: 39 17:39:41 -1233.119597 0.0000 BFGS: 40 17:39:42 -1233.119597 0.0000 BFGS: 41 17:39:43 -1233.119597 0.0000 BFGS: 42 17:39:43 -1233.119597 0.0000 BFGS: 43 17:39:43 -1233.119597 0.0000 Minimization converged after 43 steps. Maximum force component: 5.074116939554627e-09 eV/Angstrom Maximum stress component: 1.4633595174289375e-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', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', '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 = [[2.80633157e-36 5.31553507e-02 7.39782567e-01] [6.07832615e-36 9.46844649e-01 7.39782567e-01] [7.40844613e-36 5.31553507e-02 2.60217433e-01] [0.00000000e+00 9.46844649e-01 2.60217433e-01] [7.39782567e-01 1.00000000e+00 5.31553507e-02] [7.39782567e-01 1.00000000e+00 9.46844649e-01] [2.60217433e-01 1.00000000e+00 5.31553507e-02] [2.60217433e-01 1.00000000e+00 9.46844649e-01] [5.31553507e-02 7.39782567e-01 8.05212380e-36] [9.46844649e-01 7.39782567e-01 7.02605341e-36] [5.31553507e-02 2.60217433e-01 8.23137647e-36] [9.46844649e-01 2.60217433e-01 2.26867497e-35] [1.25010328e-35 5.53155351e-01 2.39782567e-01] [1.82595160e-35 4.46844649e-01 2.39782567e-01] [4.52463346e-35 5.53155351e-01 7.60217433e-01] [4.89927963e-37 4.46844649e-01 7.60217433e-01] [7.39782567e-01 5.00000000e-01 5.53155351e-01] [7.39782567e-01 5.00000000e-01 4.46844649e-01] [2.60217433e-01 5.00000000e-01 5.53155351e-01] [2.60217433e-01 5.00000000e-01 4.46844649e-01] [5.31553507e-02 2.39782567e-01 5.00000000e-01] [9.46844649e-01 2.39782567e-01 5.00000000e-01] [5.31553507e-02 7.60217433e-01 5.00000000e-01] [9.46844649e-01 7.60217433e-01 5.00000000e-01] [5.00000000e-01 5.31553507e-02 2.39782567e-01] [5.00000000e-01 9.46844649e-01 2.39782567e-01] [5.00000000e-01 5.31553507e-02 7.60217433e-01] [5.00000000e-01 9.46844649e-01 7.60217433e-01] [2.39782567e-01 1.00000000e+00 5.53155351e-01] [2.39782567e-01 1.00000000e+00 4.46844649e-01] [7.60217433e-01 1.00000000e+00 5.53155351e-01] [7.60217433e-01 1.00000000e+00 4.46844649e-01] [5.53155351e-01 7.39782567e-01 5.00000000e-01] [4.46844649e-01 7.39782567e-01 5.00000000e-01] [5.53155351e-01 2.60217433e-01 5.00000000e-01] [4.46844649e-01 2.60217433e-01 5.00000000e-01] [5.00000000e-01 5.53155351e-01 7.39782567e-01] [5.00000000e-01 4.46844649e-01 7.39782567e-01] [5.00000000e-01 5.53155351e-01 2.60217433e-01] [5.00000000e-01 4.46844649e-01 2.60217433e-01] [2.39782567e-01 5.00000000e-01 5.31553507e-02] [2.39782567e-01 5.00000000e-01 9.46844649e-01] [7.60217433e-01 5.00000000e-01 5.31553507e-02] [7.60217433e-01 5.00000000e-01 9.46844649e-01] [5.53155351e-01 2.39782567e-01 1.17492038e-38] [4.46844649e-01 2.39782567e-01 7.90866651e-36] [5.53155351e-01 7.60217433e-01 2.28217187e-37] [4.46844649e-01 7.60217433e-01 2.43249112e-35] [6.06989284e-01 7.73053768e-01 5.87105134e-01] [3.93010716e-01 2.26946232e-01 5.87105134e-01] [3.93010716e-01 7.73053768e-01 4.12894866e-01] [6.06989284e-01 2.26946232e-01 4.12894866e-01] [5.87105134e-01 6.06989284e-01 7.73053768e-01] [5.87105134e-01 3.93010716e-01 2.26946232e-01] [4.12894866e-01 3.93010716e-01 7.73053768e-01] [4.12894866e-01 6.06989284e-01 2.26946232e-01] [7.73053768e-01 5.87105134e-01 6.06989284e-01] [2.26946232e-01 5.87105134e-01 3.93010716e-01] [7.73053768e-01 4.12894866e-01 3.93010716e-01] [2.26946232e-01 4.12894866e-01 6.06989284e-01] [6.06989284e-01 2.73053768e-01 8.71051344e-02] [3.93010716e-01 7.26946232e-01 8.71051344e-02] [3.93010716e-01 2.73053768e-01 9.12894866e-01] [6.06989284e-01 7.26946232e-01 9.12894866e-01] [5.87105134e-01 1.06989284e-01 2.73053768e-01] [5.87105134e-01 8.93010716e-01 7.26946232e-01] [4.12894866e-01 8.93010716e-01 2.73053768e-01] [4.12894866e-01 1.06989284e-01 7.26946232e-01] [7.73053768e-01 8.71051344e-02 1.06989284e-01] [2.26946232e-01 8.71051344e-02 8.93010716e-01] [7.73053768e-01 9.12894866e-01 8.93010716e-01] [2.26946232e-01 9.12894866e-01 1.06989284e-01] [1.06989284e-01 7.73053768e-01 8.71051344e-02] [8.93010716e-01 2.26946232e-01 8.71051344e-02] [8.93010716e-01 7.73053768e-01 9.12894866e-01] [1.06989284e-01 2.26946232e-01 9.12894866e-01] [8.71051344e-02 6.06989284e-01 2.73053768e-01] [8.71051344e-02 3.93010716e-01 7.26946232e-01] [9.12894866e-01 3.93010716e-01 2.73053768e-01] [9.12894866e-01 6.06989284e-01 7.26946232e-01] [2.73053768e-01 5.87105134e-01 1.06989284e-01] [7.26946232e-01 5.87105134e-01 8.93010716e-01] [2.73053768e-01 4.12894866e-01 8.93010716e-01] [7.26946232e-01 4.12894866e-01 1.06989284e-01] [1.06989284e-01 2.73053768e-01 5.87105134e-01] [8.93010716e-01 7.26946232e-01 5.87105134e-01] [8.93010716e-01 2.73053768e-01 4.12894866e-01] [1.06989284e-01 7.26946232e-01 4.12894866e-01] [8.71051344e-02 1.06989284e-01 7.73053768e-01] [8.71051344e-02 8.93010716e-01 2.26946232e-01] [9.12894866e-01 8.93010716e-01 7.73053768e-01] [9.12894866e-01 1.06989284e-01 2.26946232e-01] [2.73053768e-01 8.71051344e-02 6.06989284e-01] [7.26946232e-01 8.71051344e-02 3.93010716e-01] [2.73053768e-01 9.12894866e-01 3.93010716e-01] [7.26946232e-01 9.12894866e-01 6.06989284e-01] [3.93010716e-01 2.26946232e-01 4.12894866e-01] [6.06989284e-01 7.73053768e-01 4.12894866e-01] [6.06989284e-01 2.26946232e-01 5.87105134e-01] [3.93010716e-01 7.73053768e-01 5.87105134e-01] [4.12894866e-01 3.93010716e-01 2.26946232e-01] [4.12894866e-01 6.06989284e-01 7.73053768e-01] [5.87105134e-01 6.06989284e-01 2.26946232e-01] [5.87105134e-01 3.93010716e-01 7.73053768e-01] [2.26946232e-01 4.12894866e-01 3.93010716e-01] [7.73053768e-01 4.12894866e-01 6.06989284e-01] [2.26946232e-01 5.87105134e-01 6.06989284e-01] [7.73053768e-01 5.87105134e-01 3.93010716e-01] [3.93010716e-01 7.26946232e-01 9.12894866e-01] [6.06989284e-01 2.73053768e-01 9.12894866e-01] [6.06989284e-01 7.26946232e-01 8.71051344e-02] [3.93010716e-01 2.73053768e-01 8.71051344e-02] [4.12894866e-01 8.93010716e-01 7.26946232e-01] [4.12894866e-01 1.06989284e-01 2.73053768e-01] [5.87105134e-01 1.06989284e-01 7.26946232e-01] [5.87105134e-01 8.93010716e-01 2.73053768e-01] [2.26946232e-01 9.12894866e-01 8.93010716e-01] [7.73053768e-01 9.12894866e-01 1.06989284e-01] [2.26946232e-01 8.71051344e-02 1.06989284e-01] [7.73053768e-01 8.71051344e-02 8.93010716e-01] [8.93010716e-01 2.26946232e-01 9.12894866e-01] [1.06989284e-01 7.73053768e-01 9.12894866e-01] [1.06989284e-01 2.26946232e-01 8.71051344e-02] [8.93010716e-01 7.73053768e-01 8.71051344e-02] [9.12894866e-01 3.93010716e-01 7.26946232e-01] [9.12894866e-01 6.06989284e-01 2.73053768e-01] [8.71051344e-02 6.06989284e-01 7.26946232e-01] [8.71051344e-02 3.93010716e-01 2.73053768e-01] [7.26946232e-01 4.12894866e-01 8.93010716e-01] [2.73053768e-01 4.12894866e-01 1.06989284e-01] [7.26946232e-01 5.87105134e-01 1.06989284e-01] [2.73053768e-01 5.87105134e-01 8.93010716e-01] [8.93010716e-01 7.26946232e-01 4.12894866e-01] [1.06989284e-01 2.73053768e-01 4.12894866e-01] [1.06989284e-01 7.26946232e-01 5.87105134e-01] [8.93010716e-01 2.73053768e-01 5.87105134e-01] [9.12894866e-01 8.93010716e-01 2.26946232e-01] [9.12894866e-01 1.06989284e-01 7.73053768e-01] [8.71051344e-02 1.06989284e-01 2.26946232e-01] [8.71051344e-02 8.93010716e-01 7.73053768e-01] [7.26946232e-01 9.12894866e-01 3.93010716e-01] [2.73053768e-01 9.12894866e-01 6.06989284e-01] [7.26946232e-01 8.71051344e-02 6.06989284e-01] [2.73053768e-01 8.71051344e-02 3.93010716e-01] [6.94094419e-01 3.26887702e-01 5.38339336e-02] [3.05905581e-01 6.73112298e-01 5.38339336e-02] [3.05905581e-01 3.26887702e-01 9.46166066e-01] [6.94094419e-01 6.73112298e-01 9.46166066e-01] [5.38339336e-02 6.94094419e-01 3.26887702e-01] [5.38339336e-02 3.05905581e-01 6.73112298e-01] [9.46166066e-01 3.05905581e-01 3.26887702e-01] [9.46166066e-01 6.94094419e-01 6.73112298e-01] [3.26887702e-01 5.38339336e-02 6.94094419e-01] [6.73112298e-01 5.38339336e-02 3.05905581e-01] [3.26887702e-01 9.46166066e-01 3.05905581e-01] [6.73112298e-01 9.46166066e-01 6.94094419e-01] [6.94094419e-01 8.26887702e-01 5.53833934e-01] [3.05905581e-01 1.73112298e-01 5.53833934e-01] [3.05905581e-01 8.26887702e-01 4.46166066e-01] [6.94094419e-01 1.73112298e-01 4.46166066e-01] [5.38339336e-02 1.94094419e-01 8.26887702e-01] [5.38339336e-02 8.05905581e-01 1.73112298e-01] [9.46166066e-01 8.05905581e-01 8.26887702e-01] [9.46166066e-01 1.94094419e-01 1.73112298e-01] [3.26887702e-01 5.53833934e-01 1.94094419e-01] [6.73112298e-01 5.53833934e-01 8.05905581e-01] [3.26887702e-01 4.46166066e-01 8.05905581e-01] [6.73112298e-01 4.46166066e-01 1.94094419e-01] [1.94094419e-01 3.26887702e-01 5.53833934e-01] [8.05905581e-01 6.73112298e-01 5.53833934e-01] [8.05905581e-01 3.26887702e-01 4.46166066e-01] [1.94094419e-01 6.73112298e-01 4.46166066e-01] [5.53833934e-01 6.94094419e-01 8.26887702e-01] [5.53833934e-01 3.05905581e-01 1.73112298e-01] [4.46166066e-01 3.05905581e-01 8.26887702e-01] [4.46166066e-01 6.94094419e-01 1.73112298e-01] [8.26887702e-01 5.38339336e-02 1.94094419e-01] [1.73112298e-01 5.38339336e-02 8.05905581e-01] [8.26887702e-01 9.46166066e-01 8.05905581e-01] [1.73112298e-01 9.46166066e-01 1.94094419e-01] [1.94094419e-01 8.26887702e-01 5.38339336e-02] [8.05905581e-01 1.73112298e-01 5.38339336e-02] [8.05905581e-01 8.26887702e-01 9.46166066e-01] [1.94094419e-01 1.73112298e-01 9.46166066e-01] [5.53833934e-01 1.94094419e-01 3.26887702e-01] [5.53833934e-01 8.05905581e-01 6.73112298e-01] [4.46166066e-01 8.05905581e-01 3.26887702e-01] [4.46166066e-01 1.94094419e-01 6.73112298e-01] [8.26887702e-01 5.53833934e-01 6.94094419e-01] [1.73112298e-01 5.53833934e-01 3.05905581e-01] [8.26887702e-01 4.46166066e-01 3.05905581e-01] [1.73112298e-01 4.46166066e-01 6.94094419e-01] [3.05905581e-01 6.73112298e-01 9.46166066e-01] [6.94094419e-01 3.26887702e-01 9.46166066e-01] [6.94094419e-01 6.73112298e-01 5.38339336e-02] [3.05905581e-01 3.26887702e-01 5.38339336e-02] [9.46166066e-01 3.05905581e-01 6.73112298e-01] [9.46166066e-01 6.94094419e-01 3.26887702e-01] [5.38339336e-02 6.94094419e-01 6.73112298e-01] [5.38339336e-02 3.05905581e-01 3.26887702e-01] [6.73112298e-01 9.46166066e-01 3.05905581e-01] [3.26887702e-01 9.46166066e-01 6.94094419e-01] [6.73112298e-01 5.38339336e-02 6.94094419e-01] [3.26887702e-01 5.38339336e-02 3.05905581e-01] [3.05905581e-01 1.73112298e-01 4.46166066e-01] [6.94094419e-01 8.26887702e-01 4.46166066e-01] [6.94094419e-01 1.73112298e-01 5.53833934e-01] [3.05905581e-01 8.26887702e-01 5.53833934e-01] [9.46166066e-01 8.05905581e-01 1.73112298e-01] [9.46166066e-01 1.94094419e-01 8.26887702e-01] [5.38339336e-02 1.94094419e-01 1.73112298e-01] [5.38339336e-02 8.05905581e-01 8.26887702e-01] [6.73112298e-01 4.46166066e-01 8.05905581e-01] [3.26887702e-01 4.46166066e-01 1.94094419e-01] [6.73112298e-01 5.53833934e-01 1.94094419e-01] [3.26887702e-01 5.53833934e-01 8.05905581e-01] [8.05905581e-01 6.73112298e-01 4.46166066e-01] [1.94094419e-01 3.26887702e-01 4.46166066e-01] [1.94094419e-01 6.73112298e-01 5.53833934e-01] [8.05905581e-01 3.26887702e-01 5.53833934e-01] [4.46166066e-01 3.05905581e-01 1.73112298e-01] [4.46166066e-01 6.94094419e-01 8.26887702e-01] [5.53833934e-01 6.94094419e-01 1.73112298e-01] [5.53833934e-01 3.05905581e-01 8.26887702e-01] [1.73112298e-01 9.46166066e-01 8.05905581e-01] [8.26887702e-01 9.46166066e-01 1.94094419e-01] [1.73112298e-01 5.38339336e-02 1.94094419e-01] [8.26887702e-01 5.38339336e-02 8.05905581e-01] [8.05905581e-01 1.73112298e-01 9.46166066e-01] [1.94094419e-01 8.26887702e-01 9.46166066e-01] [1.94094419e-01 1.73112298e-01 5.38339336e-02] [8.05905581e-01 8.26887702e-01 5.38339336e-02] [4.46166066e-01 8.05905581e-01 6.73112298e-01] [4.46166066e-01 1.94094419e-01 3.26887702e-01] [5.53833934e-01 1.94094419e-01 6.73112298e-01] [5.53833934e-01 8.05905581e-01 3.26887702e-01] [1.73112298e-01 4.46166066e-01 3.05905581e-01] [8.26887702e-01 4.46166066e-01 6.94094419e-01] [1.73112298e-01 5.53833934e-01 6.94094419e-01] [8.26887702e-01 5.53833934e-01 3.05905581e-01]] cellpar = Cell([[14.934820468242469, -3.757860402812095e-36, 0.0], [-1.7526132506048947e-36, 14.934820468242469, 0.0], [0.0, 0.0, 14.934820468242469]]) forces = [[ 4.09473074e-46 -3.48930766e-09 1.18669746e-10] [-4.09473074e-46 3.48930766e-09 1.18669746e-10] [ 4.09473074e-46 -3.48930766e-09 -1.18669746e-10] [-4.09473074e-46 3.48930766e-09 -1.18669746e-10] [ 1.18669746e-10 -2.98593706e-47 -3.48930766e-09] [ 1.18669746e-10 -2.98593706e-47 3.48930766e-09] [-1.18669746e-10 2.98593706e-47 -3.48930766e-09] [-1.18669746e-10 2.98593706e-47 3.48930766e-09] [-3.48930766e-09 1.18669746e-10 0.00000000e+00] [ 3.48930766e-09 1.18669746e-10 0.00000000e+00] [-3.48930766e-09 -1.18669746e-10 0.00000000e+00] [ 3.48930766e-09 -1.18669746e-10 0.00000000e+00] [ 4.09473074e-46 -3.48930766e-09 1.18669746e-10] [-4.09473074e-46 3.48930766e-09 1.18669746e-10] [ 4.09473074e-46 -3.48930766e-09 -1.18669746e-10] [-4.09473074e-46 3.48930766e-09 -1.18669746e-10] [ 1.18669746e-10 -2.98593706e-47 -3.48930766e-09] [ 1.18669746e-10 -2.98593706e-47 3.48930766e-09] [-1.18669746e-10 2.98593706e-47 -3.48930766e-09] [-1.18669746e-10 2.98593706e-47 3.48930766e-09] [-3.48930766e-09 1.18669746e-10 0.00000000e+00] [ 3.48930766e-09 1.18669746e-10 0.00000000e+00] [-3.48930766e-09 -1.18669746e-10 0.00000000e+00] [ 3.48930766e-09 -1.18669746e-10 0.00000000e+00] [ 4.09473074e-46 -3.48930766e-09 1.18669746e-10] [-4.09473074e-46 3.48930766e-09 1.18669746e-10] [ 4.09473074e-46 -3.48930766e-09 -1.18669746e-10] [-4.09473074e-46 3.48930766e-09 -1.18669746e-10] [ 1.18669746e-10 -2.98593706e-47 -3.48930766e-09] [ 1.18669746e-10 -2.98593706e-47 3.48930766e-09] [-1.18669746e-10 2.98593706e-47 -3.48930766e-09] [-1.18669746e-10 2.98593706e-47 3.48930766e-09] [-3.48930766e-09 1.18669746e-10 0.00000000e+00] [ 3.48930766e-09 1.18669746e-10 0.00000000e+00] [-3.48930766e-09 -1.18669746e-10 0.00000000e+00] [ 3.48930766e-09 -1.18669746e-10 0.00000000e+00] [ 4.09473074e-46 -3.48930766e-09 1.18669746e-10] [-4.09473074e-46 3.48930766e-09 1.18669746e-10] [ 4.09473074e-46 -3.48930766e-09 -1.18669746e-10] [-4.09473074e-46 3.48930766e-09 -1.18669746e-10] [ 1.18669746e-10 -2.98593706e-47 -3.48930766e-09] [ 1.18669746e-10 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-5.07411694e-09] [ 5.07411694e-09 -2.51724223e-09 -1.89412002e-09] [ 5.07411694e-09 2.51724223e-09 1.89412002e-09] [-5.07411694e-09 2.51724223e-09 -1.89412002e-09] [-5.07411694e-09 -2.51724223e-09 1.89412002e-09] [-1.89412002e-09 5.07411694e-09 -2.51724223e-09] [ 1.89412002e-09 5.07411694e-09 2.51724223e-09] [-1.89412002e-09 -5.07411694e-09 2.51724223e-09] [ 1.89412002e-09 -5.07411694e-09 -2.51724223e-09] [ 2.51724223e-09 1.89412002e-09 -5.07411694e-09] [-2.51724223e-09 -1.89412002e-09 -5.07411694e-09] [-2.51724223e-09 1.89412002e-09 5.07411694e-09] [ 2.51724223e-09 -1.89412002e-09 5.07411694e-09] [-5.07411694e-09 2.51724223e-09 1.89412002e-09] [-5.07411694e-09 -2.51724223e-09 -1.89412002e-09] [ 5.07411694e-09 -2.51724223e-09 1.89412002e-09] [ 5.07411694e-09 2.51724223e-09 -1.89412002e-09] [ 1.89412002e-09 -5.07411694e-09 2.51724223e-09] [-1.89412002e-09 -5.07411694e-09 -2.51724223e-09] [ 1.89412002e-09 5.07411694e-09 -2.51724223e-09] [-1.89412002e-09 5.07411694e-09 2.51724223e-09] [ 2.51724223e-09 1.89412002e-09 -5.07411694e-09] [-2.51724223e-09 -1.89412002e-09 -5.07411694e-09] [-2.51724223e-09 1.89412002e-09 5.07411694e-09] [ 2.51724223e-09 -1.89412002e-09 5.07411694e-09] [-5.07411694e-09 2.51724223e-09 1.89412002e-09] [-5.07411694e-09 -2.51724223e-09 -1.89412002e-09] [ 5.07411694e-09 -2.51724223e-09 1.89412002e-09] [ 5.07411694e-09 2.51724223e-09 -1.89412002e-09] [ 1.89412002e-09 -5.07411694e-09 2.51724223e-09] [-1.89412002e-09 -5.07411694e-09 -2.51724223e-09] [ 1.89412002e-09 5.07411694e-09 -2.51724223e-09] [-1.89412002e-09 5.07411694e-09 2.51724223e-09] [ 2.51724223e-09 1.89412002e-09 -5.07411694e-09] [-2.51724223e-09 -1.89412002e-09 -5.07411694e-09] [-2.51724223e-09 1.89412002e-09 5.07411694e-09] [ 2.51724223e-09 -1.89412002e-09 5.07411694e-09] [-5.07411694e-09 2.51724223e-09 1.89412002e-09] [-5.07411694e-09 -2.51724223e-09 -1.89412002e-09] [ 5.07411694e-09 -2.51724223e-09 1.89412002e-09] [ 5.07411694e-09 2.51724223e-09 -1.89412002e-09] [ 1.89412002e-09 -5.07411694e-09 2.51724223e-09] [-1.89412002e-09 -5.07411694e-09 -2.51724223e-09] [ 1.89412002e-09 5.07411694e-09 -2.51724223e-09] [-1.89412002e-09 5.07411694e-09 2.51724223e-09] [ 2.51724223e-09 1.89412002e-09 -5.07411694e-09] [-2.51724223e-09 -1.89412002e-09 -5.07411694e-09] [-2.51724223e-09 1.89412002e-09 5.07411694e-09] [ 2.51724223e-09 -1.89412002e-09 5.07411694e-09] [-5.07411694e-09 2.51724223e-09 1.89412002e-09] [-5.07411694e-09 -2.51724223e-09 -1.89412002e-09] [ 5.07411694e-09 -2.51724223e-09 1.89412002e-09] [ 5.07411694e-09 2.51724223e-09 -1.89412002e-09] [ 1.89412002e-09 -5.07411694e-09 2.51724223e-09] [-1.89412002e-09 -5.07411694e-09 -2.51724223e-09] [ 1.89412002e-09 5.07411694e-09 -2.51724223e-09] [-1.89412002e-09 5.07411694e-09 2.51724223e-09]] stress = [1.46335952e-11 1.46335952e-11 1.46335952e-11 0.00000000e+00 0.00000000e+00 2.16679451e-64] energy per atom = -5.137998320723125 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0