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: Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_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 10:36:24 -948.740473 9.874060 BFGS: 1 10:36:25 -968.159426 3.937646 BFGS: 2 10:36:26 -984.379890 2.648299 BFGS: 3 10:36:27 -997.697487 2.417136 BFGS: 4 10:36:28 -1007.955329 2.039437 BFGS: 5 10:36:29 -1015.493042 1.566327 BFGS: 6 10:36:30 -1020.670028 1.029930 BFGS: 7 10:36:31 -1023.319065 0.615588 BFGS: 8 10:36:32 -1024.079236 0.536604 BFGS: 9 10:36:33 -1024.281483 0.525724 BFGS: 10 10:36:34 -1024.735413 0.475320 BFGS: 11 10:36:35 -1024.991239 0.382415 BFGS: 12 10:36:36 -1025.156905 0.242858 BFGS: 13 10:36:37 -1025.239005 0.174158 BFGS: 14 10:36:38 -1025.298678 0.152054 BFGS: 15 10:36:39 -1025.342435 0.197150 BFGS: 16 10:36:40 -1025.373012 0.173438 BFGS: 17 10:36:40 -1025.394716 0.090422 BFGS: 18 10:36:41 -1025.409833 0.084872 BFGS: 19 10:36:42 -1025.418358 0.076501 BFGS: 20 10:36:43 -1025.422118 0.055931 BFGS: 21 10:36:44 -1025.423658 0.053325 BFGS: 22 10:36:44 -1025.424530 0.054281 BFGS: 23 10:36:45 -1025.425417 0.056537 BFGS: 24 10:36:46 -1025.426879 0.059868 BFGS: 25 10:36:47 -1025.429271 0.063482 BFGS: 26 10:36:48 -1025.432160 0.065004 BFGS: 27 10:36:48 -1025.434331 0.062578 BFGS: 28 10:36:49 -1025.435438 0.058769 BFGS: 29 10:36:50 -1025.436196 0.056075 BFGS: 30 10:36:51 -1025.437236 0.053949 BFGS: 31 10:36:51 -1025.438291 0.053889 BFGS: 32 10:36:52 -1025.439112 0.055703 BFGS: 33 10:36:53 -1025.439876 0.057908 BFGS: 34 10:36:54 -1025.441224 0.060472 BFGS: 35 10:36:55 -1025.444158 0.076866 BFGS: 36 10:36:55 -1025.447815 0.088491 BFGS: 37 10:36:56 -1025.451750 0.089602 BFGS: 38 10:36:57 -1025.455783 0.083446 BFGS: 39 10:36:58 -1025.459675 0.071898 BFGS: 40 10:36:59 -1025.463191 0.056322 BFGS: 41 10:36:59 -1025.466145 0.043914 BFGS: 42 10:37:00 -1025.468435 0.038206 BFGS: 43 10:37:01 -1025.470091 0.032223 BFGS: 44 10:37:02 -1025.471369 0.026099 BFGS: 45 10:37:02 -1025.472822 0.042733 BFGS: 46 10:37:03 -1025.474895 0.055818 BFGS: 47 10:37:04 -1025.477620 0.063054 BFGS: 48 10:37:05 -1025.480868 0.063895 BFGS: 49 10:37:06 -1025.484373 0.057359 BFGS: 50 10:37:06 -1025.487626 0.041094 BFGS: 51 10:37:07 -1025.489331 0.011801 BFGS: 52 10:37:08 -1025.489431 0.005297 BFGS: 53 10:37:08 -1025.489466 0.000235 BFGS: 54 10:37:09 -1025.489466 0.000079 BFGS: 55 10:37:10 -1025.489466 0.000021 BFGS: 56 10:37:11 -1025.489466 0.000007 BFGS: 57 10:37:12 -1025.489466 0.000002 BFGS: 58 10:37:12 -1025.489466 0.000001 BFGS: 59 10:37:13 -1025.489466 0.000000 BFGS: 60 10:37:14 -1025.489466 0.000000 BFGS: 61 10:37:15 -1025.489466 0.000000 BFGS: 62 10:37:15 -1025.489466 0.000000 Minimization converged after 62 steps. Maximum force component: 4.850083362706316e-09 eV/Angstrom Maximum stress component: 4.0741937689966316e-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 = [[9.40935289e-02 9.05906471e-01 1.43633383e-01] [9.40935289e-02 1.88187058e-01 1.43633383e-01] [8.11812942e-01 9.05906471e-01 1.43633383e-01] [9.05906471e-01 9.40935289e-02 8.56366617e-01] [1.88187058e-01 9.40935289e-02 8.56366617e-01] [9.05906471e-01 8.11812942e-01 8.56366617e-01] [7.60760196e-01 2.39239804e-01 4.76966717e-01] [7.60760196e-01 5.21520391e-01 4.76966717e-01] [4.78479609e-01 2.39239804e-01 4.76966717e-01] [5.72573138e-01 4.27426862e-01 1.89699950e-01] [8.54853724e-01 4.27426862e-01 1.89699950e-01] [5.72573138e-01 1.45146276e-01 1.89699950e-01] [4.27426862e-01 5.72573138e-01 8.10300050e-01] [4.27426862e-01 8.54853724e-01 8.10300050e-01] [1.45146276e-01 5.72573138e-01 8.10300050e-01] [2.39239804e-01 7.60760196e-01 5.23033283e-01] [5.21520391e-01 7.60760196e-01 5.23033283e-01] [2.39239804e-01 4.78479609e-01 5.23033283e-01] [1.29305252e-01 8.70694748e-01 8.85270429e-02] [1.29305252e-01 2.58610504e-01 8.85270429e-02] [7.41389496e-01 8.70694748e-01 8.85270429e-02] [8.70694748e-01 1.29305252e-01 9.11472957e-01] [2.58610504e-01 1.29305252e-01 9.11472957e-01] [8.70694748e-01 7.41389496e-01 9.11472957e-01] [7.95971919e-01 2.04028081e-01 4.21860376e-01] [7.95971919e-01 5.91943838e-01 4.21860376e-01] [4.08056162e-01 2.04028081e-01 4.21860376e-01] [5.37361415e-01 4.62638585e-01 2.44806290e-01] [9.25277171e-01 4.62638585e-01 2.44806290e-01] [5.37361415e-01 7.47228290e-02 2.44806290e-01] [4.62638585e-01 5.37361415e-01 7.55193710e-01] [4.62638585e-01 9.25277171e-01 7.55193710e-01] [7.47228290e-02 5.37361415e-01 7.55193710e-01] [2.04028081e-01 7.95971919e-01 5.78139624e-01] [5.91943838e-01 7.95971919e-01 5.78139624e-01] [2.04028081e-01 4.08056162e-01 5.78139624e-01] [7.00948262e-01 1.27455952e-01 1.55884119e-01] [8.72544048e-01 5.73492310e-01 1.55884119e-01] [4.26507690e-01 2.99051738e-01 1.55884119e-01] [1.27455952e-01 7.00948262e-01 8.44115881e-01] [5.73492310e-01 8.72544048e-01 8.44115881e-01] [2.99051738e-01 4.26507690e-01 8.44115881e-01] [3.67614928e-01 4.60789285e-01 4.89217452e-01] [5.39210715e-01 9.06825643e-01 4.89217452e-01] [9.31743570e-02 6.32385072e-01 4.89217452e-01] [7.94122619e-01 3.42815950e-02 1.77449215e-01] [2.40158976e-01 2.05877381e-01 1.77449215e-01] [9.65718405e-01 7.59841024e-01 1.77449215e-01] [3.42815950e-02 7.94122619e-01 8.22550785e-01] [2.05877381e-01 2.40158976e-01 8.22550785e-01] [7.59841024e-01 9.65718405e-01 8.22550785e-01] [4.60789285e-01 3.67614928e-01 5.10782548e-01] [9.06825643e-01 5.39210715e-01 5.10782548e-01] [6.32385072e-01 9.31743570e-02 5.10782548e-01] [2.99051738e-01 8.72544048e-01 8.44115881e-01] [1.27455952e-01 4.26507690e-01 8.44115881e-01] [5.73492310e-01 7.00948262e-01 8.44115881e-01] [8.72544048e-01 2.99051738e-01 1.55884119e-01] [4.26507690e-01 1.27455952e-01 1.55884119e-01] [7.00948262e-01 5.73492310e-01 1.55884119e-01] [9.65718405e-01 2.05877381e-01 1.77449215e-01] [7.94122619e-01 7.59841024e-01 1.77449215e-01] [2.40158976e-01 3.42815950e-02 1.77449215e-01] [5.39210715e-01 6.32385072e-01 4.89217452e-01] [9.31743570e-02 4.60789285e-01 4.89217452e-01] [3.67614928e-01 9.06825643e-01 4.89217452e-01] [6.32385072e-01 5.39210715e-01 5.10782548e-01] [4.60789285e-01 9.31743570e-02 5.10782548e-01] [9.06825643e-01 3.67614928e-01 5.10782548e-01] [2.05877381e-01 9.65718405e-01 8.22550785e-01] [7.59841024e-01 7.94122619e-01 8.22550785e-01] [3.42815950e-02 2.40158976e-01 8.22550785e-01] [6.28842457e-01 8.89418701e-02 1.01328698e-01] [9.11058130e-01 5.39900587e-01 1.01328698e-01] [4.60099413e-01 3.71157543e-01 1.01328698e-01] [8.89418701e-02 6.28842457e-01 8.98671302e-01] [5.39900587e-01 9.11058130e-01 8.98671302e-01] [3.71157543e-01 4.60099413e-01 8.98671302e-01] [2.95509124e-01 4.22275203e-01 4.34662031e-01] [5.77724797e-01 8.73233921e-01 4.34662031e-01] [1.26766079e-01 7.04490876e-01 4.34662031e-01] [7.55608537e-01 9.62175791e-01 2.32004636e-01] [2.06567254e-01 2.44391463e-01 2.32004636e-01] [3.78242092e-02 7.93432746e-01 2.32004636e-01] [9.62175791e-01 7.55608537e-01 7.67995364e-01] [2.44391463e-01 2.06567254e-01 7.67995364e-01] [7.93432746e-01 3.78242092e-02 7.67995364e-01] [4.22275203e-01 2.95509124e-01 5.65337969e-01] [8.73233921e-01 5.77724797e-01 5.65337969e-01] [7.04490876e-01 1.26766079e-01 5.65337969e-01] [3.71157543e-01 9.11058130e-01 8.98671302e-01] [8.89418701e-02 4.60099413e-01 8.98671302e-01] [5.39900587e-01 6.28842457e-01 8.98671302e-01] [9.11058130e-01 3.71157543e-01 1.01328698e-01] [4.60099413e-01 8.89418701e-02 1.01328698e-01] [6.28842457e-01 5.39900587e-01 1.01328698e-01] [3.78242092e-02 2.44391463e-01 2.32004636e-01] [7.55608537e-01 7.93432746e-01 2.32004636e-01] [2.06567254e-01 9.62175791e-01 2.32004636e-01] [5.77724797e-01 7.04490876e-01 4.34662031e-01] [1.26766079e-01 4.22275203e-01 4.34662031e-01] [2.95509124e-01 8.73233921e-01 4.34662031e-01] [7.04490876e-01 5.77724797e-01 5.65337969e-01] [4.22275203e-01 1.26766079e-01 5.65337969e-01] [8.73233921e-01 2.95509124e-01 5.65337969e-01] [2.44391463e-01 3.78242092e-02 7.67995364e-01] [7.93432746e-01 7.55608537e-01 7.67995364e-01] [9.62175791e-01 2.06567254e-01 7.67995364e-01] [6.50106339e-01 6.88486187e-01 6.75615918e-02] [3.11513813e-01 9.61620152e-01 6.75615918e-02] [3.83798482e-02 3.49893661e-01 6.75615918e-02] [6.88486187e-01 6.50106339e-01 9.32438408e-01] [9.61620152e-01 3.11513813e-01 9.32438408e-01] [3.49893661e-01 3.83798482e-02 9.32438408e-01] [3.16773005e-01 2.18195203e-02 4.00894925e-01] [9.78180480e-01 2.94953485e-01 4.00894925e-01] [7.05046515e-01 6.83226995e-01 4.00894925e-01] [3.55152854e-01 9.83439672e-01 2.65771742e-01] [6.28286818e-01 6.44847146e-01 2.65771742e-01] [1.65603279e-02 3.71713182e-01 2.65771742e-01] [9.83439672e-01 3.55152854e-01 7.34228258e-01] [6.44847146e-01 6.28286818e-01 7.34228258e-01] [3.71713182e-01 1.65603279e-02 7.34228258e-01] [2.18195203e-02 3.16773005e-01 5.99105075e-01] [2.94953485e-01 9.78180480e-01 5.99105075e-01] [6.83226995e-01 7.05046515e-01 5.99105075e-01] [3.49893661e-01 3.11513813e-01 9.32438408e-01] [6.88486187e-01 3.83798482e-02 9.32438408e-01] [9.61620152e-01 6.50106339e-01 9.32438408e-01] [3.11513813e-01 3.49893661e-01 6.75615918e-02] [3.83798482e-02 6.88486187e-01 6.75615918e-02] [6.50106339e-01 9.61620152e-01 6.75615918e-02] [1.65603279e-02 6.44847146e-01 2.65771742e-01] [3.55152854e-01 3.71713182e-01 2.65771742e-01] [6.28286818e-01 9.83439672e-01 2.65771742e-01] [9.78180480e-01 6.83226995e-01 4.00894925e-01] [7.05046515e-01 2.18195203e-02 4.00894925e-01] [3.16773005e-01 2.94953485e-01 4.00894925e-01] [6.83226995e-01 9.78180480e-01 5.99105075e-01] [2.18195203e-02 7.05046515e-01 5.99105075e-01] [2.94953485e-01 3.16773005e-01 5.99105075e-01] [6.44847146e-01 1.65603279e-02 7.34228258e-01] [3.71713182e-01 3.55152854e-01 7.34228258e-01] [9.83439672e-01 6.28286818e-01 7.34228258e-01] [5.02737651e-01 8.35795713e-01 3.36363899e-02] [1.64204287e-01 6.66941938e-01 3.36363899e-02] [3.33058062e-01 4.97262349e-01 3.36363899e-02] [8.35795713e-01 5.02737651e-01 9.66363610e-01] [6.66941938e-01 1.64204287e-01 9.66363610e-01] [4.97262349e-01 3.33058062e-01 9.66363610e-01] [1.69404318e-01 1.69129046e-01 3.66969723e-01] [8.30870954e-01 2.75271468e-04 3.66969723e-01] [9.99724729e-01 8.30595682e-01 3.66969723e-01] [5.02462380e-01 8.36070984e-01 2.99696943e-01] [3.33608605e-01 4.97537620e-01 2.99696943e-01] [1.63929016e-01 6.66391395e-01 2.99696943e-01] [8.36070984e-01 5.02462380e-01 7.00303057e-01] [4.97537620e-01 3.33608605e-01 7.00303057e-01] [6.66391395e-01 1.63929016e-01 7.00303057e-01] [1.69129046e-01 1.69404318e-01 6.33030277e-01] [2.75271468e-04 8.30870954e-01 6.33030277e-01] [8.30595682e-01 9.99724729e-01 6.33030277e-01] [4.97262349e-01 1.64204287e-01 9.66363610e-01] [8.35795713e-01 3.33058062e-01 9.66363610e-01] [6.66941938e-01 5.02737651e-01 9.66363610e-01] [1.64204287e-01 4.97262349e-01 3.36363899e-02] [3.33058062e-01 8.35795713e-01 3.36363899e-02] [5.02737651e-01 6.66941938e-01 3.36363899e-02] [1.63929016e-01 4.97537620e-01 2.99696943e-01] [5.02462380e-01 6.66391395e-01 2.99696943e-01] [3.33608605e-01 8.36070984e-01 2.99696943e-01] [8.30870954e-01 8.30595682e-01 3.66969723e-01] [9.99724729e-01 1.69129046e-01 3.66969723e-01] [1.69404318e-01 2.75271468e-04 3.66969723e-01] [8.30595682e-01 8.30870954e-01 6.33030277e-01] [1.69129046e-01 9.99724729e-01 6.33030277e-01] [2.75271468e-04 1.69404318e-01 6.33030277e-01] [4.97537620e-01 1.63929016e-01 7.00303057e-01] [6.66391395e-01 5.02462380e-01 7.00303057e-01] [8.36070984e-01 3.33608605e-01 7.00303057e-01]] cellpar = Cell([[9.172864329107178, 3.848596625373081e-18, -4.654995997288401e-37], [-4.586432164553589, 7.943933534474904, -3.3593094813805538e-37], [3.204900875075657e-36, 1.4413939238722623e-37, 26.36587711411912]]) forces = [[-3.46857089e-10 2.00258034e-10 1.85681618e-09] [-6.38635278e-26 -4.00516068e-10 1.85681618e-09] [ 3.46857089e-10 2.00258034e-10 1.85681618e-09] [ 3.46857089e-10 -2.00258034e-10 -1.85681618e-09] [-3.46857089e-10 -2.00258034e-10 -1.85681618e-09] [-1.74743836e-26 4.00516068e-10 -1.85681618e-09] [-3.46857089e-10 2.00258034e-10 1.85681618e-09] [ 1.24661689e-25 -4.00516068e-10 1.85681618e-09] [ 3.46857089e-10 2.00258034e-10 1.85681618e-09] [ 3.46857089e-10 -2.00258034e-10 -1.85681618e-09] [-3.46857089e-10 -2.00258034e-10 -1.85681618e-09] [ 3.80141337e-26 4.00516068e-10 -1.85681618e-09] [-3.46857089e-10 2.00258034e-10 1.85681618e-09] [ 2.12641127e-26 -4.00516068e-10 1.85681618e-09] [ 3.46857089e-10 2.00258034e-10 1.85681618e-09] [ 3.46857089e-10 -2.00258034e-10 -1.85681618e-09] [-3.46857089e-10 -2.00258034e-10 -1.85681618e-09] [-4.71135068e-26 4.00516068e-10 -1.85681618e-09] [ 3.30570460e-09 -1.90854944e-09 -4.85008336e-09] [-4.38135794e-25 3.81709889e-09 -4.85008336e-09] [-3.30570460e-09 -1.90854944e-09 -4.85008336e-09] [-3.30570460e-09 1.90854944e-09 4.85008336e-09] [ 3.30570460e-09 1.90854944e-09 4.85008336e-09] [-3.60901769e-26 -3.81709889e-09 4.85008336e-09] [ 3.30570460e-09 -1.90854944e-09 -4.85008336e-09] [ 3.60901769e-26 3.81709889e-09 -4.85008336e-09] [-3.30570460e-09 -1.90854944e-09 -4.85008336e-09] [-3.30570460e-09 1.90854944e-09 4.85008336e-09] [ 3.30570460e-09 1.90854944e-09 4.85008336e-09] [ 4.38135794e-25 -3.81709889e-09 4.85008336e-09] [ 3.30570460e-09 -1.90854944e-09 -4.85008336e-09] [ 3.89044818e-25 3.81709889e-09 -4.85008336e-09] [-3.30570460e-09 -1.90854944e-09 -4.85008336e-09] [-3.30570460e-09 1.90854944e-09 4.85008336e-09] [ 3.30570460e-09 1.90854944e-09 4.85008336e-09] [ 2.45454878e-26 -3.81709889e-09 4.85008336e-09] [-9.17553839e-10 3.19886904e-10 3.72168664e-11] [ 1.81746735e-10 -9.54568386e-10 3.72168664e-11] [ 7.35807104e-10 6.34681482e-10 3.72168664e-11] [ 7.35807104e-10 -6.34681482e-10 -3.72168664e-11] [-9.17553839e-10 -3.19886904e-10 -3.72168664e-11] [ 1.81746735e-10 9.54568386e-10 -3.72168664e-11] [-9.17553839e-10 3.19886904e-10 3.72168664e-11] [ 1.81746735e-10 -9.54568386e-10 3.72168664e-11] [ 7.35807104e-10 6.34681482e-10 3.72168664e-11] [ 7.35807104e-10 -6.34681482e-10 -3.72168664e-11] [-9.17553839e-10 -3.19886904e-10 -3.72168664e-11] [ 1.81746735e-10 9.54568386e-10 -3.72168664e-11] [-9.17553839e-10 3.19886904e-10 3.72168664e-11] [ 1.81746735e-10 -9.54568386e-10 3.72168664e-11] [ 7.35807104e-10 6.34681482e-10 3.72168664e-11] [ 7.35807104e-10 -6.34681482e-10 -3.72168664e-11] [-9.17553839e-10 -3.19886904e-10 -3.72168664e-11] [ 1.81746735e-10 9.54568386e-10 -3.72168664e-11] [ 9.17553839e-10 -3.19886904e-10 -3.72168664e-11] [-1.81746735e-10 9.54568386e-10 -3.72168664e-11] [-7.35807104e-10 -6.34681482e-10 -3.72168664e-11] [-7.35807104e-10 6.34681482e-10 3.72168664e-11] [ 9.17553839e-10 3.19886904e-10 3.72168664e-11] [-1.81746735e-10 -9.54568386e-10 3.72168664e-11] [ 9.17553839e-10 -3.19886904e-10 -3.72168664e-11] [-1.81746735e-10 9.54568386e-10 -3.72168664e-11] [-7.35807104e-10 -6.34681482e-10 -3.72168664e-11] [-7.35807104e-10 6.34681482e-10 3.72168664e-11] [ 9.17553839e-10 3.19886904e-10 3.72168664e-11] [-1.81746735e-10 -9.54568386e-10 3.72168664e-11] [ 9.17553839e-10 -3.19886904e-10 -3.72168664e-11] [-1.81746735e-10 9.54568386e-10 -3.72168664e-11] [-7.35807104e-10 -6.34681482e-10 -3.72168664e-11] [-7.35807104e-10 6.34681482e-10 3.72168664e-11] [ 9.17553839e-10 3.19886904e-10 3.72168664e-11] [-1.81746735e-10 -9.54568386e-10 3.72168664e-11] [-2.45266331e-09 -8.31314584e-10 -7.65298307e-10] [ 1.94627120e-09 -1.70841144e-09 -7.65298307e-10] [ 5.06392106e-10 2.53972602e-09 -7.65298307e-10] [ 5.06392106e-10 -2.53972602e-09 7.65298307e-10] [-2.45266331e-09 8.31314584e-10 7.65298307e-10] [ 1.94627120e-09 1.70841144e-09 7.65298307e-10] [-2.45266331e-09 -8.31314584e-10 -7.65298307e-10] [ 1.94627120e-09 -1.70841144e-09 -7.65298307e-10] [ 5.06392106e-10 2.53972602e-09 -7.65298307e-10] [ 5.06392106e-10 -2.53972602e-09 7.65298307e-10] [-2.45266331e-09 8.31314584e-10 7.65298307e-10] [ 1.94627120e-09 1.70841144e-09 7.65298307e-10] [-2.45266331e-09 -8.31314584e-10 -7.65298307e-10] [ 1.94627120e-09 -1.70841144e-09 -7.65298307e-10] [ 5.06392106e-10 2.53972602e-09 -7.65298307e-10] [ 5.06392106e-10 -2.53972602e-09 7.65298307e-10] [-2.45266331e-09 8.31314584e-10 7.65298307e-10] [ 1.94627120e-09 1.70841144e-09 7.65298307e-10] [ 2.45266331e-09 8.31314584e-10 7.65298307e-10] [-1.94627120e-09 1.70841144e-09 7.65298307e-10] [-5.06392106e-10 -2.53972602e-09 7.65298307e-10] [-5.06392106e-10 2.53972602e-09 -7.65298307e-10] [ 2.45266331e-09 -8.31314584e-10 -7.65298307e-10] [-1.94627120e-09 -1.70841144e-09 -7.65298307e-10] [ 2.45266331e-09 8.31314584e-10 7.65298307e-10] [-1.94627120e-09 1.70841144e-09 7.65298307e-10] [-5.06392106e-10 -2.53972602e-09 7.65298307e-10] [-5.06392106e-10 2.53972602e-09 -7.65298307e-10] [ 2.45266331e-09 -8.31314584e-10 -7.65298307e-10] [-1.94627120e-09 -1.70841144e-09 -7.65298307e-10] [ 2.45266331e-09 8.31314584e-10 7.65298307e-10] [-1.94627120e-09 1.70841144e-09 7.65298307e-10] [-5.06392106e-10 -2.53972602e-09 7.65298307e-10] [-5.06392106e-10 2.53972602e-09 -7.65298307e-10] [ 2.45266331e-09 -8.31314584e-10 -7.65298307e-10] [-1.94627120e-09 -1.70841144e-09 -7.65298307e-10] [-5.76440308e-10 3.24928630e-09 1.05941926e-09] [-2.52574433e-09 -2.12385510e-09 1.05941926e-09] [ 3.10218464e-09 -1.12543120e-09 1.05941926e-09] [ 3.10218464e-09 1.12543120e-09 -1.05941926e-09] [-5.76440308e-10 -3.24928630e-09 -1.05941926e-09] [-2.52574433e-09 2.12385510e-09 -1.05941926e-09] [-5.76440308e-10 3.24928630e-09 1.05941926e-09] [-2.52574433e-09 -2.12385510e-09 1.05941926e-09] [ 3.10218464e-09 -1.12543120e-09 1.05941926e-09] [ 3.10218464e-09 1.12543120e-09 -1.05941926e-09] [-5.76440308e-10 -3.24928630e-09 -1.05941926e-09] [-2.52574433e-09 2.12385510e-09 -1.05941926e-09] [-5.76440308e-10 3.24928630e-09 1.05941926e-09] [-2.52574433e-09 -2.12385510e-09 1.05941926e-09] [ 3.10218464e-09 -1.12543120e-09 1.05941926e-09] [ 3.10218464e-09 1.12543120e-09 -1.05941926e-09] [-5.76440308e-10 -3.24928630e-09 -1.05941926e-09] [-2.52574433e-09 2.12385510e-09 -1.05941926e-09] [ 5.76440308e-10 -3.24928630e-09 -1.05941926e-09] [ 2.52574433e-09 2.12385510e-09 -1.05941926e-09] [-3.10218464e-09 1.12543120e-09 -1.05941926e-09] [-3.10218464e-09 -1.12543120e-09 1.05941926e-09] [ 5.76440308e-10 3.24928630e-09 1.05941926e-09] [ 2.52574433e-09 -2.12385510e-09 1.05941926e-09] [ 5.76440308e-10 -3.24928630e-09 -1.05941926e-09] [ 2.52574433e-09 2.12385510e-09 -1.05941926e-09] [-3.10218464e-09 1.12543120e-09 -1.05941926e-09] [-3.10218464e-09 -1.12543120e-09 1.05941926e-09] [ 5.76440308e-10 3.24928630e-09 1.05941926e-09] [ 2.52574433e-09 -2.12385510e-09 1.05941926e-09] [ 5.76440308e-10 -3.24928630e-09 -1.05941926e-09] [ 2.52574433e-09 2.12385510e-09 -1.05941926e-09] [-3.10218464e-09 1.12543120e-09 -1.05941926e-09] [-3.10218464e-09 -1.12543120e-09 1.05941926e-09] [ 5.76440308e-10 3.24928630e-09 1.05941926e-09] [ 2.52574433e-09 -2.12385510e-09 1.05941926e-09] [ 2.78980513e-09 2.71475311e-09 9.40025231e-10] [-3.74594772e-09 1.05866556e-09 9.40025231e-10] [ 9.56142591e-10 -3.77341867e-09 9.40025231e-10] [ 9.56142591e-10 3.77341867e-09 -9.40025231e-10] [ 2.78980513e-09 -2.71475311e-09 -9.40025231e-10] [-3.74594772e-09 -1.05866556e-09 -9.40025231e-10] [ 2.78980513e-09 2.71475311e-09 9.40025231e-10] [-3.74594772e-09 1.05866556e-09 9.40025231e-10] [ 9.56142591e-10 -3.77341867e-09 9.40025231e-10] [ 9.56142591e-10 3.77341867e-09 -9.40025231e-10] [ 2.78980513e-09 -2.71475311e-09 -9.40025231e-10] [-3.74594772e-09 -1.05866556e-09 -9.40025231e-10] [ 2.78980513e-09 2.71475311e-09 9.40025231e-10] [-3.74594772e-09 1.05866556e-09 9.40025231e-10] [ 9.56142591e-10 -3.77341867e-09 9.40025231e-10] [ 9.56142591e-10 3.77341867e-09 -9.40025231e-10] [ 2.78980513e-09 -2.71475311e-09 -9.40025231e-10] [-3.74594772e-09 -1.05866556e-09 -9.40025231e-10] [-2.78980513e-09 -2.71475311e-09 -9.40025231e-10] [ 3.74594772e-09 -1.05866556e-09 -9.40025231e-10] [-9.56142591e-10 3.77341867e-09 -9.40025231e-10] [-9.56142591e-10 -3.77341867e-09 9.40025231e-10] [-2.78980513e-09 2.71475311e-09 9.40025231e-10] [ 3.74594772e-09 1.05866556e-09 9.40025231e-10] [-2.78980513e-09 -2.71475311e-09 -9.40025231e-10] [ 3.74594772e-09 -1.05866556e-09 -9.40025231e-10] [-9.56142591e-10 3.77341867e-09 -9.40025231e-10] [-9.56142591e-10 -3.77341867e-09 9.40025231e-10] [-2.78980513e-09 2.71475311e-09 9.40025231e-10] [ 3.74594772e-09 1.05866556e-09 9.40025231e-10] [-2.78980513e-09 -2.71475311e-09 -9.40025231e-10] [ 3.74594772e-09 -1.05866556e-09 -9.40025231e-10] [-9.56142591e-10 3.77341867e-09 -9.40025231e-10] [-9.56142591e-10 -3.77341867e-09 9.40025231e-10] [-2.78980513e-09 2.71475311e-09 9.40025231e-10] [ 3.74594772e-09 1.05866556e-09 9.40025231e-10]] stress = [ 4.07419377e-11 4.07419377e-11 6.09468514e-12 -1.70900140e-46 -6.39186182e-47 -2.46144911e-26] energy per atom = -5.697163702420683 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0