element(s): ['C'] AFLOW prototype label: A_oI120_71_lmn6o Parameter names: ['a', 'b/a', 'c/a', 'y1', 'z1', 'x2', 'z2', 'x3', 'y3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['16.9765', '0.53839131', '0.53253026', '0.087794084', '0.41181715', '0.79695569', '0.077206239', '0.95291847', '0.41287669', '0.84820465', '0.25285259', '0.080318454', '0.91460436', '0.33504004', '0.12991053', '0.82302819', '0.12822295', '0.15791096', '0.95658327', '0.28466999', '0.25169645', '0.86554334', '0.080688437', '0.28688349', '0.93091231', '0.15926312', '0.33373657'] model name: EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] representative atom coordinates = [[0. 0.58818285 0.08779408] [0.79695569 0.92279376 0. ] [0.95291847 0. 0.41287669] [0.34820465 0.41968155 0.75285259] [0.41460436 0.37008947 0.83504004] [0.32302819 0.34208904 0.62822295] [0.45658327 0.24830355 0.78466999] [0.36554334 0.21311651 0.58068844] [0.43091231 0.16626343 0.65926312]] spacegroup = 71 cell = [[16.9765, 0, 0], [0, 9.0405, 0], [0, 0, 9.14]] ========================================= Minimization stalled after 0 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 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'] basis = [[0.00000000e+00 5.88182850e-01 8.77940840e-02] [0.00000000e+00 4.11817150e-01 8.77940840e-02] [0.00000000e+00 5.88182850e-01 9.12205916e-01] [0.00000000e+00 4.11817150e-01 9.12205916e-01] [5.00000000e-01 8.81828500e-02 5.87794084e-01] [5.00000000e-01 9.11817150e-01 5.87794084e-01] [5.00000000e-01 8.81828500e-02 4.12205916e-01] [5.00000000e-01 9.11817150e-01 4.12205916e-01] [7.96955690e-01 9.22793760e-01 1.94349764e-16] [2.03044310e-01 7.72062400e-02 1.94349764e-16] [2.03044310e-01 9.22793760e-01 1.94349764e-16] [7.96955690e-01 7.72062400e-02 1.94349764e-16] [2.96955690e-01 4.22793760e-01 5.00000000e-01] [7.03044310e-01 5.77206240e-01 5.00000000e-01] [7.03044310e-01 4.22793760e-01 5.00000000e-01] [2.96955690e-01 5.77206240e-01 5.00000000e-01] [9.52918470e-01 0.00000000e+00 4.12876690e-01] [4.70815300e-02 0.00000000e+00 4.12876690e-01] [4.70815300e-02 0.00000000e+00 5.87123310e-01] [9.52918470e-01 0.00000000e+00 5.87123310e-01] [4.52918470e-01 5.00000000e-01 9.12876690e-01] [5.47081530e-01 5.00000000e-01 9.12876690e-01] [5.47081530e-01 5.00000000e-01 8.71233100e-02] [4.52918470e-01 5.00000000e-01 8.71233100e-02] [3.48204650e-01 4.19681550e-01 7.52852590e-01] [6.51795350e-01 5.80318450e-01 7.52852590e-01] [6.51795350e-01 4.19681550e-01 2.47147410e-01] [3.48204650e-01 5.80318450e-01 2.47147410e-01] [8.48204650e-01 9.19681550e-01 2.52852590e-01] [1.51795350e-01 8.03184500e-02 2.52852590e-01] [1.51795350e-01 9.19681550e-01 7.47147410e-01] [8.48204650e-01 8.03184500e-02 7.47147410e-01] [6.51795350e-01 5.80318450e-01 2.47147410e-01] [3.48204650e-01 4.19681550e-01 2.47147410e-01] [3.48204650e-01 5.80318450e-01 7.52852590e-01] [6.51795350e-01 4.19681550e-01 7.52852590e-01] [1.51795350e-01 8.03184500e-02 7.47147410e-01] [8.48204650e-01 9.19681550e-01 7.47147410e-01] [8.48204650e-01 8.03184500e-02 2.52852590e-01] [1.51795350e-01 9.19681550e-01 2.52852590e-01] [4.14604360e-01 3.70089470e-01 8.35040040e-01] [5.85395640e-01 6.29910530e-01 8.35040040e-01] [5.85395640e-01 3.70089470e-01 1.64959960e-01] [4.14604360e-01 6.29910530e-01 1.64959960e-01] [9.14604360e-01 8.70089470e-01 3.35040040e-01] [8.53956400e-02 1.29910530e-01 3.35040040e-01] [8.53956400e-02 8.70089470e-01 6.64959960e-01] [9.14604360e-01 1.29910530e-01 6.64959960e-01] [5.85395640e-01 6.29910530e-01 1.64959960e-01] [4.14604360e-01 3.70089470e-01 1.64959960e-01] [4.14604360e-01 6.29910530e-01 8.35040040e-01] [5.85395640e-01 3.70089470e-01 8.35040040e-01] [8.53956400e-02 1.29910530e-01 6.64959960e-01] [9.14604360e-01 8.70089470e-01 6.64959960e-01] [9.14604360e-01 1.29910530e-01 3.35040040e-01] [8.53956400e-02 8.70089470e-01 3.35040040e-01] [3.23028190e-01 3.42089040e-01 6.28222950e-01] [6.76971810e-01 6.57910960e-01 6.28222950e-01] [6.76971810e-01 3.42089040e-01 3.71777050e-01] [3.23028190e-01 6.57910960e-01 3.71777050e-01] [8.23028190e-01 8.42089040e-01 1.28222950e-01] [1.76971810e-01 1.57910960e-01 1.28222950e-01] [1.76971810e-01 8.42089040e-01 8.71777050e-01] [8.23028190e-01 1.57910960e-01 8.71777050e-01] [6.76971810e-01 6.57910960e-01 3.71777050e-01] [3.23028190e-01 3.42089040e-01 3.71777050e-01] [3.23028190e-01 6.57910960e-01 6.28222950e-01] [6.76971810e-01 3.42089040e-01 6.28222950e-01] [1.76971810e-01 1.57910960e-01 8.71777050e-01] [8.23028190e-01 8.42089040e-01 8.71777050e-01] [8.23028190e-01 1.57910960e-01 1.28222950e-01] [1.76971810e-01 8.42089040e-01 1.28222950e-01] [4.56583270e-01 2.48303550e-01 7.84669990e-01] [5.43416730e-01 7.51696450e-01 7.84669990e-01] [5.43416730e-01 2.48303550e-01 2.15330010e-01] [4.56583270e-01 7.51696450e-01 2.15330010e-01] [9.56583270e-01 7.48303550e-01 2.84669990e-01] [4.34167300e-02 2.51696450e-01 2.84669990e-01] [4.34167300e-02 7.48303550e-01 7.15330010e-01] [9.56583270e-01 2.51696450e-01 7.15330010e-01] [5.43416730e-01 7.51696450e-01 2.15330010e-01] [4.56583270e-01 2.48303550e-01 2.15330010e-01] [4.56583270e-01 7.51696450e-01 7.84669990e-01] [5.43416730e-01 2.48303550e-01 7.84669990e-01] [4.34167300e-02 2.51696450e-01 7.15330010e-01] [9.56583270e-01 7.48303550e-01 7.15330010e-01] [9.56583270e-01 2.51696450e-01 2.84669990e-01] [4.34167300e-02 7.48303550e-01 2.84669990e-01] [3.65543340e-01 2.13116510e-01 5.80688440e-01] [6.34456660e-01 7.86883490e-01 5.80688440e-01] [6.34456660e-01 2.13116510e-01 4.19311560e-01] [3.65543340e-01 7.86883490e-01 4.19311560e-01] [8.65543340e-01 7.13116510e-01 8.06884400e-02] [1.34456660e-01 2.86883490e-01 8.06884400e-02] [1.34456660e-01 7.13116510e-01 9.19311560e-01] [8.65543340e-01 2.86883490e-01 9.19311560e-01] [6.34456660e-01 7.86883490e-01 4.19311560e-01] [3.65543340e-01 2.13116510e-01 4.19311560e-01] [3.65543340e-01 7.86883490e-01 5.80688440e-01] [6.34456660e-01 2.13116510e-01 5.80688440e-01] [1.34456660e-01 2.86883490e-01 9.19311560e-01] [8.65543340e-01 7.13116510e-01 9.19311560e-01] [8.65543340e-01 2.86883490e-01 8.06884400e-02] [1.34456660e-01 7.13116510e-01 8.06884400e-02] [4.30912310e-01 1.66263430e-01 6.59263120e-01] [5.69087690e-01 8.33736570e-01 6.59263120e-01] [5.69087690e-01 1.66263430e-01 3.40736880e-01] [4.30912310e-01 8.33736570e-01 3.40736880e-01] [9.30912310e-01 6.66263430e-01 1.59263120e-01] [6.90876900e-02 3.33736570e-01 1.59263120e-01] [6.90876900e-02 6.66263430e-01 8.40736880e-01] [9.30912310e-01 3.33736570e-01 8.40736880e-01] [5.69087690e-01 8.33736570e-01 3.40736880e-01] [4.30912310e-01 1.66263430e-01 3.40736880e-01] [4.30912310e-01 8.33736570e-01 6.59263120e-01] [5.69087690e-01 1.66263430e-01 6.59263120e-01] [6.90876900e-02 3.33736570e-01 8.40736880e-01] [9.30912310e-01 6.66263430e-01 8.40736880e-01] [9.30912310e-01 3.33736570e-01 1.59263120e-01] [6.90876900e-02 6.66263430e-01 1.59263120e-01]] cellpar = Cell([[16.9765, 0.0, 0.0], [0.0, 9.040499999999998, 0.0], [0.0, 2.228655316765799e-31, 9.139999999999999]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [0. 0. 0. 0. 0. 0.] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0