Model name? Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 Stoichiometric species (literal list of strings)? ['O', 'Si'] Prototype label? A2B_aP48_2_16i_8i Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Query result (literal list of dicts)? [{'instance-id': 2, 'a.si-value': 1.08451e-09, 'parameter-names.source-value': ['b/a', 'c/a', 'alpha', 'beta', 'gamma', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24'], 'parameter-values.source-value': [1.0317563, 0.65737522, 94.0254, 97.3641, 100.7499, 0.53592812, 0.84863186, 0.04614969, 0.34650331, 0.36510007, 0.37201795, 0.51683529, 0.42257696, 0.67529189, 0.36354418, 0.20774998, 0.62926168, 0.27239029, 0.49052679, 0.097542139, 0.47293734, 0.37929967, 0.091398015, 0.21614771, 0.77921259, 0.49357294, 0.16551095, 0.54134573, 0.46627273, 0.13274104, 0.65475114, 0.16114945, 0.97703719, 0.65142089, 0.41817942, 0.42578963, 0.87302, 0.3594878, 0.36559869, 0.97659586, 0.67305579, 0.43953838, 0.77028454, 0.68210751, 0.12085522, 0.54142358, 0.81465302, 0.31998268, 0.70163861, 0.96150377, 0.27268171, 0.40676235, 0.69430913, 0.37502703, 0.34885298, 0.59416527, 0.39317946, 0.45385404, 0.2164839, 0.12211833, 0.66022963, 0.38412141, 0.36098267, 0.84976259, 0.54930406, 0.1449504, 0.45649418, 0.63667633, 0.20855184, 0.59760156, 0.01062917, 0.4581572, 0.73643399, 0.89849426, 0.5583156, 0.8858232, 0.27253969], 'meta.uuid': 'TE_273446210186_002-and-SM_887826436433_000-1711747832-tr'}, {'instance-id': 4, 'a.si-value': 1.19662e-09, 'parameter-names.source-value': ['b/a', 'c/a', 'alpha', 'beta', 'gamma', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24'], 'parameter-values.source-value': [0.40585148, 1.2394829, 88.6778, 102.3902, 78.6192, 0.58033006, 0.33318701, 0.10350956, 0.95908062, 0.054127286, 0.63262161, 0.81940763, 0.98203881, 0.28376, 0.12737988, 0.90355243, 0.54570263, 0.2631438, 0.93759206, 0.43356952, 0.81750576, 0.52548989, 0.55327399, 0.32693832, 0.32447407, 0.33868411, 0.46405877, 0.67573795, 0.31989437, 0.45240468, 0.86401722, 0.6557191, 0.40858753, 0.3334823, 0.1873729, 0.26322294, 0.36840811, 0.83142502, 0.31454453, 0.34239939, 0.66894239, 0.39941664, 0.25543371, 0.52035035, 0.37847488, 0.28409212, 0.0072105999, 0.48697492, 0.1327184, 0.87740353, 0.10353213, 0.55949637, 0.67734387, 0.090438077, 0.88150913, 0.6435225, 0.43458326, 0.37367282, 0.29653261, 0.21471886, 0.31953009, 0.72499288, 0.29380992, 0.24462371, 0.4334469, 0.42623987, 0.1967592, 0.63059652, 0.38403271, 0.36657131, 0.90295934, 0.46701522, 0.20250461, 0.10637433, 0.15304127, 0.81060885, 0.44736805], 'meta.uuid': 'TE_273446210186_002-and-SM_887826436433_000-1711747832-tr'}] Runtime arguments (literal dictonary)? {} ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.53592812 0.84863186 0.04614969] [0.34650331 0.36510007 0.37201795] [0.51683529 0.42257696 0.67529189] [0.36354418 0.20774998 0.62926168] [0.27239029 0.49052679 0.09754214] [0.47293734 0.37929967 0.09139801] [0.21614771 0.77921259 0.49357294] [0.16551095 0.54134573 0.46627273] [0.13274104 0.65475114 0.16114945] [0.97703719 0.65142089 0.41817942] [0.42578963 0.87302 0.3594878 ] [0.36559869 0.97659586 0.67305579] [0.43953838 0.77028454 0.68210751] [0.12085522 0.54142358 0.81465302] [0.31998268 0.70163861 0.96150377] [0.27268171 0.40676235 0.69430913] [0.37502703 0.34885298 0.59416527] [0.39317946 0.45385404 0.2164839 ] [0.12211833 0.66022963 0.38412141] [0.36098267 0.84976259 0.54930406] [0.1449504 0.45649418 0.63667633] [0.20855184 0.59760156 0.01062917] [0.4581572 0.73643399 0.89849426] [0.5583156 0.8858232 0.27253969]] spacegroup = 2 cell = [[10.8451, 0, 0], [-2.0870915142874, 10.993132368028, 0], [-0.91379244355431, -0.68289459020487, 7.0374396508085]] ========================================= E L A S T I C C O N S T A N T C A L C U L A T I O N S Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Minimization converged after 18 steps. Minimization converged after 51 steps. Minimization converged after 52 steps. Minimization converged after 53 steps. Minimization converged after 48 steps. Minimization converged after 50 steps. Minimization converged after 50 steps. Minimization converged after 49 steps. Minimization converged after 47 steps. Minimization converged after 48 steps. Minimization converged after 50 steps. Minimization converged after 47 steps. Minimization converged after 53 steps. Minimization converged after 54 steps. Minimization converged after 47 steps. Minimization converged after 49 steps. Minimization converged after 50 steps. Minimization converged after 55 steps. Minimization converged after 50 steps. Minimization converged after 48 steps. Minimization converged after 53 steps. Minimization converged after 53 steps. Minimization converged after 48 steps. Minimization converged after 50 steps. Minimization converged after 50 steps. Minimization converged after 47 steps. Minimization converged after 35 steps. Minimization converged after 34 steps. Minimization converged after 49 steps. Minimization converged after 51 steps. Minimization converged after 39 steps. Minimization converged after 46 steps. Minimization converged after 48 steps. Minimization converged after 56 steps. Minimization converged after 49 steps. Minimization converged after 49 steps. Minimization converged after 54 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 49 steps. Minimization converged after 49 steps. Minimization converged after 48 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 44 steps. Minimization converged after 44 steps. Minimization converged after 48 steps. Minimization converged after 46 steps. Minimization converged after 53 steps. Minimization converged after 54 steps. Minimization converged after 46 steps. Minimization converged after 48 steps. Minimization converged after 46 steps. Minimization converged after 45 steps. Minimization converged after 49 steps. Minimization converged after 51 steps. Minimization converged after 50 steps. Minimization converged after 50 steps. Minimization converged after 51 steps. Minimization converged after 49 steps. Minimization converged after 51 steps. Minimization converged after 49 steps. Minimization converged after 39 steps. Minimization converged after 39 steps. Minimization converged after 50 steps. Minimization converged after 54 steps. Minimization converged after 56 steps. Minimization converged after 46 steps. Minimization converged after 48 steps. Minimization converged after 48 steps. Minimization converged after 46 steps. Minimization converged after 48 steps. Minimization converged after 46 steps. Minimization converged after 49 steps. Minimization converged after 50 steps. Minimization converged after 49 steps. Minimization converged after 46 steps. Minimization converged after 44 steps. Minimization converged after 50 steps. Minimization converged after 45 steps. Minimization converged after 46 steps. Minimization converged after 46 steps. Minimization converged after 47 steps. Minimization converged after 43 steps. Minimization converged after 49 steps. Minimization converged after 50 steps. Minimization converged after 45 steps. Minimization converged after 45 steps. Minimization converged after 46 steps. Minimization converged after 49 steps. Minimization converged after 41 steps. Minimization converged after 41 steps. Minimization converged after 49 steps. Minimization converged after 50 steps. Minimization converged after 45 steps. Minimization converged after 45 steps. Minimization converged after 45 steps. Minimization converged after 44 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 46 steps. Minimization converged after 44 steps. Minimization converged after 36 steps. Minimization converged after 37 steps. Minimization converged after 44 steps. Minimization converged after 51 steps. Minimization converged after 45 steps. Minimization converged after 44 steps. Minimization converged after 50 steps. Minimization converged after 45 steps. Minimization converged after 45 steps. Minimization converged after 46 steps. Minimization converged after 44 steps. Minimization converged after 45 steps. Minimization converged after 40 steps. Minimization converged after 45 steps. Minimization converged after 37 steps. Minimization converged after 37 steps. Minimization converged after 44 steps. Minimization converged after 41 steps. Minimization converged after 49 steps. Minimization converged after 50 steps. Minimization converged after 41 steps. Minimization converged after 45 steps. Minimization converged after 44 steps. Minimization converged after 44 steps. Minimization converged after 45 steps. Minimization converged after 46 steps. Minimization converged after 43 steps. Minimization converged after 48 steps. Minimization converged after 47 steps. Minimization converged after 44 steps. Minimization converged after 47 steps. Minimization converged after 46 steps. Minimization converged after 36 steps. Minimization converged after 38 steps. Minimization converged after 45 steps. Minimization converged after 50 steps. Minimization converged after 49 steps. Minimization converged after 45 steps. Minimization converged after 44 steps. Minimization converged after 45 steps. Minimization converged after 45 steps. Minimization converged after 44 steps. Minimization converged after 43 steps. Minimization converged after 46 steps. Minimization converged after 45 steps. Minimization converged after 45 steps. Minimization converged after 40 steps. Minimization converged after 39 steps. Minimization converged after 46 steps. Minimization converged after 39 steps. Minimization converged after 44 steps. Minimization converged after 43 steps. Minimization converged after 44 steps. Minimization converged after 38 steps. Minimization converged after 43 steps. Minimization converged after 45 steps. Minimization converged after 39 steps. Minimization converged after 39 steps. Minimization converged after 46 steps. Minimization converged after 45 steps. Minimization converged after 37 steps. Minimization converged after 35 steps. Minimization converged after 44 steps. Minimization converged after 46 steps. Minimization converged after 39 steps. Minimization converged after 43 steps. Minimization converged after 37 steps. Minimization converged after 41 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 40 steps. Minimization converged after 41 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. Minimization converged after 38 steps. Minimization converged after 45 steps. Minimization converged after 41 steps. Minimization converged after 39 steps. Minimization converged after 47 steps. Minimization converged after 43 steps. Minimization converged after 35 steps. Minimization converged after 37 steps. Minimization converged after 43 steps. Minimization converged after 37 steps. Minimization converged after 37 steps. Minimization converged after 39 steps. Minimization converged after 28 steps. Minimization converged after 37 steps. Minimization converged after 37 steps. Minimization converged after 39 steps. Minimization converged after 45 steps. Minimization converged after 44 steps. Minimization converged after 39 steps. Minimization converged after 38 steps. Minimization converged after 36 steps. Minimization converged after 39 steps. Minimization converged after 38 steps. Minimization converged after 41 steps. Minimization converged after 41 steps. Minimization converged after 44 steps. Minimization converged after 45 steps. Minimization converged after 43 steps. Minimization converged after 43 steps. Minimization converged after 42 steps. Minimization converged after 31 steps. Minimization converged after 30 steps. Minimization converged after 37 steps. Minimization converged after 46 steps. Minimization converged after 45 steps. Minimization converged after 44 steps. Minimization converged after 41 steps. Minimization converged after 43 steps. Minimization converged after 42 steps. Minimization converged after 42 steps. Minimization converged after 41 steps. Minimization converged after 40 steps. Minimization converged after 43 steps. Minimization converged after 36 steps. Minimization converged after 33 steps. Minimization converged after 35 steps. Minimization converged after 39 steps. Minimization converged after 36 steps. Minimization converged after 35 steps. Minimization converged after 38 steps. Minimization converged after 38 steps. Minimization converged after 34 steps. Minimization converged after 36 steps. Minimization converged after 42 steps. Minimization converged after 35 steps. Minimization converged after 32 steps. Minimization converged after 40 steps. Minimization converged after 39 steps. Minimization converged after 34 steps. Minimization converged after 29 steps. Minimization converged after 37 steps. Minimization converged after 38 steps. Minimization converged after 35 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. Minimization converged after 28 steps. Minimization converged after 27 steps. Minimization converged after 32 steps. Minimization converged after 35 steps. Minimization converged after 32 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. Minimization converged after 40 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 40 steps. Minimization converged after 38 steps. Minimization converged after 30 steps. Minimization converged after 35 steps. Minimization converged after 37 steps. Minimization converged after 33 steps. Minimization converged after 31 steps. Minimization converged after 34 steps. Minimization converged after 26 steps. Minimization converged after 32 steps. Minimization converged after 34 steps. Minimization converged after 37 steps. Minimization converged after 38 steps. Minimization converged after 40 steps. Minimization converged after 37 steps. Minimization converged after 33 steps. Minimization converged after 29 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 37 steps. Minimization converged after 36 steps. Minimization converged after 40 steps. Minimization converged after 39 steps. Minimization converged after 40 steps. Minimization converged after 39 steps. Minimization converged after 35 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 35 steps. Minimization converged after 41 steps. Minimization converged after 40 steps. Minimization converged after 40 steps. Minimization converged after 39 steps. Minimization converged after 38 steps. Minimization converged after 40 steps. Minimization converged after 38 steps. Minimization converged after 37 steps. Minimization converged after 34 steps. Minimization converged after 39 steps. Minimization converged after 29 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 36 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 33 steps. Minimization converged after 34 steps. Minimization converged after 29 steps. Minimization converged after 33 steps. Minimization converged after 36 steps. Minimization converged after 33 steps. Minimization converged after 25 steps. Minimization converged after 34 steps. Minimization converged after 32 steps. Minimization converged after 30 steps. Minimization converged after 19 steps. Minimization converged after 33 steps. Minimization converged after 36 steps. Minimization converged after 29 steps. Minimization converged after 28 steps. Minimization converged after 30 steps. Minimization converged after 27 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 28 steps. Minimization converged after 29 steps. Minimization converged after 29 steps. Minimization converged after 31 steps. Minimization converged after 31 steps. Minimization converged after 37 steps. Minimization converged after 31 steps. Minimization converged after 31 steps. Minimization converged after 37 steps. Minimization converged after 31 steps. Minimization converged after 26 steps. Minimization converged after 31 steps. Minimization converged after 28 steps. Minimization converged after 29 steps. Minimization converged after 27 steps. Minimization converged after 30 steps. Minimization converged after 23 steps. Minimization converged after 27 steps. Minimization converged after 26 steps. Minimization converged after 35 steps. Minimization converged after 32 steps. Minimization converged after 33 steps. Minimization converged after 35 steps. Minimization converged after 29 steps. Minimization converged after 26 steps. Minimization converged after 29 steps. Minimization converged after 28 steps. Minimization converged after 33 steps. Minimization converged after 34 steps. Minimization converged after 33 steps. Minimization converged after 32 steps. Minimization converged after 34 steps. Minimization converged after 36 steps. Minimization converged after 34 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 33 steps. Minimization converged after 38 steps. Minimization converged after 39 steps. Minimization converged after 36 steps. Minimization converged after 29 steps. Minimization converged after 30 steps. Minimization converged after 37 steps. Minimization converged after 33 steps. Minimization converged after 33 steps. Minimization converged after 31 steps. Minimization converged after 33 steps. Minimization converged after 23 steps. Minimization converged after 26 steps. Minimization converged after 29 steps. Minimization converged after 33 steps. Minimization converged after 21 steps. Minimization converged after 26 steps. Minimization converged after 31 steps. Minimization converged after 32 steps. Minimization converged after 18 steps. Minimization converged after 29 steps. Minimization converged after 33 steps. Minimization converged after 29 steps. Minimization converged after 22 steps. Minimization converged after 30 steps. Minimization converged after 31 steps. Minimization converged after 25 steps. Minimization converged after 17 steps. Minimization converged after 28 steps. Minimization converged after 33 steps. Minimization converged after 26 steps. Minimization converged after 23 steps. Minimization converged after 27 steps. Minimization converged after 24 steps. Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 24 steps. Minimization converged after 28 steps. Minimization converged after 22 steps. Minimization converged after 25 steps. Minimization converged after 26 steps. Minimization converged after 32 steps. Minimization converged after 26 steps. Minimization converged after 27 steps. Minimization converged after 32 steps. Minimization converged after 28 steps. Minimization converged after 25 steps. Minimization converged after 27 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 23 steps. Minimization converged after 26 steps. Minimization converged after 19 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 31 steps. Minimization converged after 25 steps. Minimization converged after 31 steps. Minimization converged after 32 steps. Minimization converged after 25 steps. Minimization converged after 19 steps. Minimization converged after 26 steps. Minimization converged after 22 steps. Minimization converged after 32 steps. Minimization converged after 23 steps. Minimization converged after 31 steps. Minimization converged after 29 steps. Minimization converged after 29 steps. Minimization converged after 31 steps. Minimization converged after 29 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 22 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 30 steps. Minimization converged after 28 steps. Minimization converged after 25 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 29 steps. Minimization converged after 25 steps. Minimization converged after 32 steps. Minimization converged after 20 steps. Minimization converged after 22 steps. Minimization converged after 28 steps. Minimization converged after 26 steps. Minimization converged after 13 steps. Minimization converged after 22 steps. Minimization converged after 25 steps. Minimization converged after 26 steps. Minimization converged after 17 steps. Minimization converged after 22 steps. Minimization converged after 29 steps. Minimization converged after 25 steps. Minimization converged after 19 steps. Minimization converged after 29 steps. Minimization converged after 28 steps. Minimization converged after 24 steps. Minimization converged after 16 steps. Minimization converged after 25 steps. Minimization converged after 29 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 24 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 25 steps. Minimization converged after 17 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 28 steps. Minimization converged after 18 steps. Minimization converged after 25 steps. Minimization converged after 24 steps. Minimization converged after 25 steps. Minimization converged after 19 steps. Minimization converged after 26 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 17 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 26 steps. Minimization converged after 21 steps. Minimization converged after 26 steps. Minimization converged after 22 steps. Minimization converged after 25 steps. Minimization converged after 16 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 28 steps. Minimization converged after 18 steps. Minimization converged after 29 steps. Minimization converged after 22 steps. Minimization converged after 28 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 31 steps. Minimization converged after 32 steps. Minimization converged after 26 steps. Minimization converged after 24 steps. Minimization converged after 22 steps. Minimization converged after 24 steps. Minimization converged after 28 steps. Minimization converged after 19 steps. Minimization converged after 22 steps. Minimization converged after 29 steps. Minimization converged after 14 steps. Minimization converged after 18 steps. Minimization converged after 26 steps. Minimization converged after 22 steps. Minimization converged after 8 steps. Minimization converged after 13 steps. Minimization converged after 22 steps. Minimization converged after 23 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 28 steps. Minimization converged after 20 steps. Minimization converged after 13 steps. Minimization converged after 16 steps. Minimization converged after 28 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 22 steps. Minimization converged after 15 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 25 steps. Minimization converged after 18 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 16 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 16 steps. Minimization converged after 21 steps. Minimization converged after 16 steps. Minimization converged after 22 steps. Minimization converged after 17 steps. Minimization converged after 26 steps. Minimization converged after 19 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 22 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 29 steps. Minimization converged after 22 steps. Minimization converged after 26 steps. Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 25 steps. Minimization converged after 16 steps. Minimization converged after 10 steps. Minimization converged after 25 steps. Minimization converged after 10 steps. Minimization converged after 18 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 9 steps. Minimization converged after 13 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 19 steps. Minimization converged after 25 steps. Minimization converged after 19 steps. Minimization converged after 14 steps. Minimization converged after 13 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 21 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 21 steps. Minimization converged after 18 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 16 steps. Minimization converged after 24 steps. Minimization converged after 19 steps. Minimization converged after 25 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 21 steps. Minimization converged after 16 steps. Minimization converged after 11 steps. Minimization converged after 21 steps. Minimization converged after 11 steps. Minimization converged after 15 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 14 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 16 steps. Minimization converged after 23 steps. Minimization converged after 19 steps. Minimization converged after 15 steps. Minimization converged after 13 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 20 steps. Minimization converged after 16 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 16 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 15 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 11 steps. Minimization converged after 20 steps. Minimization converged after 11 steps. Minimization converged after 15 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 14 steps. Minimization converged after 13 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 18 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 14 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 14 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 13 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 15 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 20 steps. Minimization converged after 18 steps. Minimization converged after 20 steps. Minimization converged after 15 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 15 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 15 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 14 steps. Minimization converged after 13 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 14 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 14 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 15 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 13 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 15 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 15 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 15 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 15 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 13 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 15 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 15 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 15 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 13 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 15 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 15 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 15 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 15 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 15 steps. Summary of completed elastic constants calculation: Method: energy-condensed Step generator: MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Raw elastic constants [ASE units]: [[ 0.23236 0.11446 0.05368 0.05417 0.00129 0.16536] [ 0.11446 0.52516 0.06178 0.11017 -0.02839 0.14136] [ 0.05368 0.06178 0.80374 0.04636 -0.01906 0.1067 ] [ 0.05417 0.11017 0.04636 0.22199 0.01084 0.0502 ] [ 0.00129 -0.02839 -0.01906 0.01084 0.18136 0.01959] [ 0.16536 0.14136 0.1067 0.0502 0.01959 0.24253]] 95%% Error estimate [ASE units]: [[0.00056 0.00058 0.00018 0.00036 0.00037 0.00072] [0.00058 0.00046 0.00048 0.00032 0.00013 0.00044] [0.00018 0.00048 0.00022 0.00036 0.00045 0.00027] [0.00036 0.00032 0.00036 0.00007 0.00005 0.0002 ] [0.00037 0.00013 0.00045 0.00005 0.00023 0.00053] [0.00072 0.00044 0.00027 0.0002 0.00053 0.00013]] Maximum deviation from material symmetry [ASE units]: 0.000000 R E S U L T S Elastic constants [GPa]: [[ 37.22893 18.33836 8.5998 8.67932 0.20613 26.49437] [ 18.33836 84.13926 9.89902 17.6509 -4.54881 22.6484 ] [ 8.5998 9.89902 128.77285 7.42764 -3.05307 17.09582] [ 8.67932 17.6509 7.42764 35.56604 1.73688 8.0433 ] [ 0.20613 -4.54881 -3.05307 1.73688 29.05712 3.13919] [ 26.49437 22.6484 17.09582 8.0433 3.13919 38.85761]] 95 %% Error estimate [GPa]: [[0.08984 0.09307 0.0285 0.05795 0.05982 0.11487] [0.09307 0.07412 0.07769 0.05151 0.02067 0.07071] [0.0285 0.07769 0.03567 0.05836 0.07281 0.04364] [0.05795 0.05151 0.05836 0.01169 0.00811 0.0327 ] [0.05982 0.02067 0.07281 0.00811 0.03722 0.08485] [0.11487 0.07071 0.04364 0.0327 0.08485 0.02159]] Maximum deviation from material symmetry [GPa] = 0.00000 Bulk modulus [GPa] = 12.52452 Unique elastic constants for space group 2 [GPa] ['c11', 'c12', 'c13', 'c14', 'c15', 'c16', 'c22', 'c23', 'c24', 'c25', 'c26', 'c33', 'c34', 'c35', 'c36', 'c44', 'c45', 'c46', 'c55', 'c56', 'c66'] [37.22893432289848, 18.33836128635439, 8.599803203056668, 8.679317128934013, 0.20612633385255758, 26.494365369164086, 84.139264457434, 9.899020321872685, 17.650897203941803, -4.548807526293546, 22.648398285870464, 128.7728512018325, 7.427642811824381, -3.0530701060862513, 17.095824327561182, 35.56603788209054, 1.7368767929813265, 8.04330280427161, 29.05711719951535, 3.139185060602356, 38.85760680201368] Nearest matrix of isotropic elastic constants: Distance to isotropic state [-] = 1.88145 Isotropic bulk modulus [GPa] = 23.40873 Isotropic shear modulus [GPa] = 28.66802 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.58033006 0.33318701 0.10350956] [0.95908062 0.05412729 0.63262161] [0.81940763 0.98203881 0.28376 ] [0.12737988 0.90355243 0.54570263] [0.2631438 0.93759206 0.43356952] [0.81750576 0.52548989 0.55327399] [0.32693832 0.32447407 0.33868411] [0.46405877 0.67573795 0.31989437] [0.45240468 0.86401722 0.6557191 ] [0.40858753 0.3334823 0.1873729 ] [0.26322294 0.36840811 0.83142502] [0.31454453 0.34239939 0.66894239] [0.39941664 0.25543371 0.52035035] [0.37847488 0.28409212 0.0072106 ] [0.48697492 0.1327184 0.87740353] [0.10353213 0.55949637 0.67734387] [0.09043808 0.88150913 0.6435225 ] [0.43458326 0.37367282 0.29653261] [0.21471886 0.31953009 0.72499288] [0.29380992 0.24462371 0.4334469 ] [0.42623987 0.1967592 0.63059652] [0.38403271 0.36657131 0.90295934] [0.46701522 0.20250461 0.10637433] [0.15304127 0.81060885 0.44736805]] spacegroup = 2 cell = [[11.9662, 0, 0], [0.95832749817188, 4.7610083654881, 0], [-3.1824551503099, 0.98969170298298, 14.452603473399]] ========================================= E L A S T I C C O N S T A N T C A L C U L A T I O N S Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Minimization converged after 7 steps. Minimization converged after 46 steps. Minimization converged after 46 steps. Minimization converged after 43 steps. Minimization converged after 41 steps. Minimization converged after 41 steps. Minimization converged after 42 steps. Minimization converged after 40 steps. Minimization converged after 44 steps. Minimization converged after 44 steps. Minimization converged after 41 steps. Minimization converged after 49 steps. Minimization converged after 49 steps. Minimization converged after 49 steps. Minimization converged after 47 steps. Minimization converged after 42 steps. Minimization converged after 46 steps. Minimization converged after 47 steps. Minimization converged after 42 steps. Minimization converged after 42 steps. Minimization converged after 47 steps. Minimization converged after 47 steps. Minimization converged after 44 steps. Minimization converged after 43 steps. Minimization converged after 44 steps. Minimization converged after 44 steps. Minimization converged after 43 steps. Minimization converged after 43 steps. Minimization converged after 44 steps. Minimization converged after 46 steps. Minimization converged after 48 steps. Minimization converged after 50 steps. Minimization converged after 47 steps. Minimization converged after 42 steps. Minimization converged after 43 steps. Minimization converged after 43 steps. Minimization converged after 47 steps. Minimization converged after 45 steps. Minimization converged after 45 steps. Minimization converged after 41 steps. Minimization converged after 39 steps. Minimization converged after 48 steps. Minimization converged after 48 steps. Minimization converged after 43 steps. Minimization converged after 46 steps. Minimization converged after 46 steps. Minimization converged after 43 steps. Minimization converged after 43 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 44 steps. Minimization converged after 47 steps. Minimization converged after 46 steps. Minimization converged after 46 steps. Minimization converged after 47 steps. Minimization converged after 53 steps. Minimization converged after 52 steps. Minimization converged after 45 steps. Minimization converged after 50 steps. Minimization converged after 48 steps. Minimization converged after 44 steps. Minimization converged after 46 steps. Minimization converged after 50 steps. Minimization converged after 50 steps. Minimization converged after 46 steps. Minimization converged after 47 steps. Minimization converged after 48 steps. Minimization converged after 46 steps. Minimization converged after 40 steps. Minimization converged after 40 steps. Minimization converged after 44 steps. Minimization converged after 47 steps. Minimization converged after 47 steps. Minimization converged after 43 steps. Minimization converged after 43 steps. Minimization converged after 38 steps. Minimization converged after 40 steps. Minimization converged after 37 steps. Minimization converged after 39 steps. Minimization converged after 37 steps. Minimization converged after 39 steps. Minimization converged after 40 steps. Minimization converged after 37 steps. Minimization converged after 44 steps. Minimization converged after 43 steps. Minimization converged after 43 steps. Minimization converged after 43 steps. Minimization converged after 37 steps. Minimization converged after 43 steps. Minimization converged after 45 steps. Minimization converged after 37 steps. Minimization converged after 37 steps. Minimization converged after 40 steps. Minimization converged after 41 steps. Minimization converged after 41 steps. Minimization converged after 37 steps. Minimization converged after 38 steps. Minimization converged after 40 steps. Minimization converged after 34 steps. Minimization converged after 37 steps. Minimization converged after 39 steps. Minimization converged after 40 steps. Minimization converged after 45 steps. Minimization converged after 46 steps. Minimization converged after 41 steps. Minimization converged after 39 steps. Minimization converged after 37 steps. Minimization converged after 37 steps. Minimization converged after 40 steps. Minimization converged after 38 steps. Minimization converged after 37 steps. Minimization converged after 36 steps. Minimization converged after 38 steps. Minimization converged after 44 steps. Minimization converged after 44 steps. Minimization converged after 37 steps. Minimization converged after 42 steps. Minimization converged after 43 steps. Minimization converged after 37 steps. Minimization converged after 43 steps. Minimization converged after 42 steps. Minimization converged after 47 steps. Minimization converged after 43 steps. Minimization converged after 43 steps. Minimization converged after 43 steps. Minimization converged after 45 steps. Minimization converged after 42 steps. Minimization converged after 47 steps. Minimization converged after 47 steps. Minimization converged after 43 steps. Minimization converged after 45 steps. Minimization converged after 45 steps. Minimization converged after 43 steps. Minimization converged after 44 steps. Minimization converged after 46 steps. Minimization converged after 46 steps. Minimization converged after 44 steps. Minimization converged after 44 steps. Minimization converged after 44 steps. Minimization converged after 42 steps. Minimization converged after 36 steps. Minimization converged after 36 steps. Minimization converged after 42 steps. Minimization converged after 41 steps. Minimization converged after 41 steps. Minimization converged after 36 steps. Minimization converged after 37 steps. Minimization converged after 35 steps. Minimization converged after 33 steps. Minimization converged after 33 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. Minimization converged after 36 steps. Minimization converged after 37 steps. Minimization converged after 34 steps. Minimization converged after 39 steps. Minimization converged after 39 steps. Minimization converged after 39 steps. Minimization converged after 39 steps. Minimization converged after 32 steps. Minimization converged after 39 steps. Minimization converged after 43 steps. Minimization converged after 31 steps. Minimization converged after 36 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 34 steps. Minimization converged after 35 steps. Minimization converged after 37 steps. Minimization converged after 33 steps. Minimization converged after 33 steps. Minimization converged after 37 steps. Minimization converged after 34 steps. Minimization converged after 36 steps. Minimization converged after 36 steps. Minimization converged after 35 steps. Minimization converged after 36 steps. Minimization converged after 33 steps. Minimization converged after 33 steps. Minimization converged after 37 steps. Minimization converged after 33 steps. Minimization converged after 32 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. Minimization converged after 42 steps. Minimization converged after 41 steps. Minimization converged after 36 steps. Minimization converged after 37 steps. Minimization converged after 35 steps. Minimization converged after 38 steps. Minimization converged after 39 steps. Minimization converged after 36 steps. Minimization converged after 39 steps. Minimization converged after 39 steps. Minimization converged after 37 steps. Minimization converged after 42 steps. Minimization converged after 41 steps. Minimization converged after 35 steps. Minimization converged after 40 steps. Minimization converged after 41 steps. Minimization converged after 38 steps. Minimization converged after 43 steps. Minimization converged after 42 steps. Minimization converged after 38 steps. Minimization converged after 41 steps. Minimization converged after 42 steps. Minimization converged after 42 steps. Minimization converged after 37 steps. Minimization converged after 41 steps. Minimization converged after 41 steps. Minimization converged after 35 steps. Minimization converged after 34 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 33 steps. Minimization converged after 34 steps. Minimization converged after 29 steps. Minimization converged after 30 steps. Minimization converged after 29 steps. Minimization converged after 30 steps. Minimization converged after 28 steps. Minimization converged after 30 steps. Minimization converged after 33 steps. Minimization converged after 29 steps. Minimization converged after 32 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 34 steps. Minimization converged after 29 steps. Minimization converged after 34 steps. Minimization converged after 35 steps. Minimization converged after 30 steps. Minimization converged after 32 steps. Minimization converged after 31 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 33 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 28 steps. Minimization converged after 29 steps. Minimization converged after 31 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 29 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 29 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 35 steps. Minimization converged after 39 steps. Minimization converged after 30 steps. Minimization converged after 31 steps. Minimization converged after 32 steps. Minimization converged after 30 steps. Minimization converged after 33 steps. Minimization converged after 29 steps. Minimization converged after 33 steps. Minimization converged after 33 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 31 steps. Minimization converged after 38 steps. Minimization converged after 37 steps. Minimization converged after 33 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. Minimization converged after 35 steps. Minimization converged after 32 steps. Minimization converged after 31 steps. Minimization converged after 33 steps. Minimization converged after 38 steps. Minimization converged after 38 steps. Minimization converged after 33 steps. Minimization converged after 29 steps. Minimization converged after 31 steps. Minimization converged after 31 steps. Minimization converged after 34 steps. Minimization converged after 33 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 28 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 30 steps. Minimization converged after 28 steps. Minimization converged after 25 steps. Minimization converged after 29 steps. Minimization converged after 28 steps. Minimization converged after 29 steps. Minimization converged after 28 steps. Minimization converged after 27 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 27 steps. Minimization converged after 28 steps. Minimization converged after 29 steps. Minimization converged after 29 steps. Minimization converged after 28 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 24 steps. Minimization converged after 26 steps. Minimization converged after 27 steps. Minimization converged after 25 steps. Minimization converged after 27 steps. Minimization converged after 29 steps. Minimization converged after 30 steps. Minimization converged after 27 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 27 steps. Minimization converged after 28 steps. Minimization converged after 29 steps. Minimization converged after 27 steps. Minimization converged after 30 steps. Minimization converged after 31 steps. Minimization converged after 27 steps. Minimization converged after 29 steps. Minimization converged after 30 steps. Minimization converged after 27 steps. Minimization converged after 30 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 29 steps. Minimization converged after 29 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 29 steps. Minimization converged after 32 steps. Minimization converged after 31 steps. Minimization converged after 28 steps. Minimization converged after 31 steps. Minimization converged after 31 steps. Minimization converged after 29 steps. Minimization converged after 29 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 30 steps. Minimization converged after 31 steps. Minimization converged after 32 steps. Minimization converged after 29 steps. Minimization converged after 25 steps. Minimization converged after 27 steps. Minimization converged after 29 steps. Minimization converged after 31 steps. Minimization converged after 30 steps. Minimization converged after 27 steps. Minimization converged after 29 steps. Minimization converged after 24 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 24 steps. Minimization converged after 20 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 21 steps. Minimization converged after 27 steps. Minimization converged after 25 steps. Minimization converged after 27 steps. Minimization converged after 24 steps. Minimization converged after 22 steps. Minimization converged after 26 steps. Minimization converged after 27 steps. Minimization converged after 23 steps. Minimization converged after 24 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 24 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 24 steps. Minimization converged after 26 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 26 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 24 steps. Minimization converged after 27 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 24 steps. Minimization converged after 27 steps. Minimization converged after 28 steps. Minimization converged after 23 steps. Minimization converged after 26 steps. Minimization converged after 28 steps. Minimization converged after 23 steps. Minimization converged after 26 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 26 steps. Minimization converged after 25 steps. Minimization converged after 23 steps. Minimization converged after 26 steps. Minimization converged after 27 steps. Minimization converged after 29 steps. Minimization converged after 27 steps. Minimization converged after 26 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 27 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 27 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 26 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 17 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 17 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 26 steps. Minimization converged after 23 steps. Minimization converged after 19 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 20 steps. Minimization converged after 18 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 17 steps. Minimization converged after 18 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 23 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 23 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 23 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 22 steps. Minimization converged after 24 steps. Minimization converged after 20 steps. Minimization converged after 22 steps. Minimization converged after 25 steps. Minimization converged after 23 steps. Minimization converged after 20 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 26 steps. Minimization converged after 20 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 27 steps. Minimization converged after 26 steps. Minimization converged after 23 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 25 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 17 steps. Minimization converged after 19 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. Minimization converged after 16 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 11 steps. Minimization converged after 18 steps. Minimization converged after 17 steps. Minimization converged after 18 steps. Minimization converged after 17 steps. Minimization converged after 16 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 18 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 18 steps. Minimization converged after 11 steps. Minimization converged after 18 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. Minimization converged after 20 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. Minimization converged after 19 steps. Minimization converged after 17 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 19 steps. Minimization converged after 17 steps. Minimization converged after 16 steps. Minimization converged after 18 steps. Minimization converged after 20 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 17 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 17 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 23 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 17 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 18 steps. Minimization converged after 22 steps. Minimization converged after 23 steps. Minimization converged after 20 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 20 steps. Minimization converged after 23 steps. Minimization converged after 20 steps. Minimization converged after 19 steps. Minimization converged after 18 steps. Minimization converged after 10 steps. Minimization converged after 16 steps. Minimization converged after 8 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. Minimization converged after 9 steps. Minimization converged after 16 steps. Minimization converged after 14 steps. Minimization converged after 17 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 14 steps. Minimization converged after 16 steps. Minimization converged after 9 steps. Minimization converged after 16 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 12 steps. Minimization converged after 18 steps. Minimization converged after 12 steps. Minimization converged after 11 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 15 steps. Minimization converged after 16 steps. Minimization converged after 12 steps. Minimization converged after 17 steps. Minimization converged after 10 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 17 steps. Minimization converged after 16 steps. Minimization converged after 18 steps. Minimization converged after 16 steps. Minimization converged after 13 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. Minimization converged after 16 steps. Minimization converged after 15 steps. Minimization converged after 17 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 18 steps. Minimization converged after 17 steps. Minimization converged after 18 steps. Minimization converged after 20 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 14 steps. Minimization converged after 17 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 15 steps. Minimization converged after 17 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. Minimization converged after 18 steps. Minimization converged after 19 steps. Minimization converged after 13 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 15 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 15 steps. Minimization converged after 11 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 13 steps. Minimization converged after 12 steps. Minimization converged after 10 steps. Minimization converged after 14 steps. Minimization converged after 13 steps. Minimization converged after 11 steps. Minimization converged after 10 steps. Minimization converged after 5 steps. Minimization converged after 11 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 13 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 11 steps. Minimization converged after 10 steps. Minimization converged after 16 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 13 steps. Minimization converged after 10 steps. Minimization converged after 12 steps. Minimization converged after 16 steps. Minimization converged after 13 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 14 steps. Minimization converged after 10 steps. Minimization converged after 12 steps. Minimization converged after 10 steps. Minimization converged after 16 steps. Minimization converged after 13 steps. Minimization converged after 12 steps. Minimization converged after 14 steps. Minimization converged after 10 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 10 steps. Minimization converged after 16 steps. Minimization converged after 13 steps. Minimization converged after 15 steps. Minimization converged after 13 steps. Minimization converged after 10 steps. Minimization converged after 13 steps. Minimization converged after 8 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 14 steps. Minimization converged after 10 steps. Minimization converged after 14 steps. Minimization converged after 16 steps. Minimization converged after 15 steps. Minimization converged after 17 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 4 steps. Minimization converged after 10 steps. Minimization converged after 5 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 13 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 1 steps. Minimization converged after 10 steps. Minimization converged after 4 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 7 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 11 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 11 steps. Minimization converged after 8 steps. Minimization converged after 11 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 15 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 13 steps. Minimization converged after 10 steps. Minimization converged after 11 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 4 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 4 steps. Minimization converged after 10 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 10 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 9 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 9 steps. Minimization converged after 7 steps. Summary of completed elastic constants calculation: Method: energy-condensed Step generator: MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Raw elastic constants [ASE units]: [[ 0.36871 0.0898 0.31157 0.07013 0.03983 0.00147] [ 0.0898 0.86995 0.07837 -0.00327 0.00655 0.03576] [ 0.31157 0.07837 1.03631 0.02725 -0.00535 -0.00383] [ 0.07013 -0.00327 0.02725 0.24232 0.00975 0.04051] [ 0.03983 0.00655 -0.00535 0.00975 0.19835 -0.02642] [ 0.00147 0.03576 -0.00383 0.04051 -0.02642 0.27495]] 95%% Error estimate [ASE units]: [[0.00101 0.00067 0.00044 0.00025 0.00053 0.00109] [0.00067 0.0019 0.00195 0.00019 0.00011 0.00018] [0.00044 0.00195 0.00061 0.00007 0.00008 0.00006] [0.00025 0.00019 0.00007 0.0001 0.00007 0.00005] [0.00053 0.00011 0.00008 0.00007 0.00008 0.00003] [0.00109 0.00018 0.00006 0.00005 0.00003 0.00043]] Maximum deviation from material symmetry [ASE units]: 0.000000 R E S U L T S Elastic constants [GPa]: [[ 59.07462 14.38681 49.91901 11.23631 6.38222 0.23477] [ 14.38681 139.38165 12.55591 -0.52317 1.05002 5.7297 ] [ 49.91901 12.55591 166.03535 4.36598 -0.85677 -0.61298] [ 11.23631 -0.52317 4.36598 38.82408 1.56236 6.48988] [ 6.38222 1.05002 -0.85677 1.56236 31.7799 -4.2331 ] [ 0.23477 5.7297 -0.61298 6.48988 -4.2331 44.05193]] 95 %% Error estimate [GPa]: [[0.16121 0.10784 0.07046 0.03938 0.08472 0.17453] [0.10784 0.30482 0.31277 0.03065 0.01732 0.02856] [0.07046 0.31277 0.09695 0.01129 0.01234 0.00998] [0.03938 0.03065 0.01129 0.0155 0.01099 0.00737] [0.08472 0.01732 0.01234 0.01099 0.0134 0.00435] [0.17453 0.02856 0.00998 0.00737 0.00435 0.06817]] Maximum deviation from material symmetry [GPa] = 0.00000 Bulk modulus [GPa] = 44.64866 Unique elastic constants for space group 2 [GPa] ['c11', 'c12', 'c13', 'c14', 'c15', 'c16', 'c22', 'c23', 'c24', 'c25', 'c26', 'c33', 'c34', 'c35', 'c36', 'c44', 'c45', 'c46', 'c55', 'c56', 'c66'] [59.07461532705329, 14.386811822589255, 49.919014441359884, 11.236311018638766, 6.38221854422459, 0.2347686940113085, 139.3816493972543, 12.555907012440505, -0.5231720449232085, 1.0500196976704905, 5.729698247655593, 166.0353458824552, 4.365983023294368, -0.8567696079202116, -0.6129778342834962, 38.824077759842346, 1.5623649626183052, 6.489877478165086, 31.77990353605869, -4.233100591997602, 44.05192583053759] Nearest matrix of isotropic elastic constants: Distance to isotropic state [-] = 1.21813 Isotropic bulk modulus [GPa] = 53.36567 Isotropic shear modulus [GPa] = 37.39085