Model name?
Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000
Stoichiometric species (literal list of strings)?
['O', 'Si']
Prototype label?
A2B_hP36_163_ghi_i
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': 8.412900000000001e-10, 'parameter-names.source-value': ['c/a', 'x2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4'], 'parameter-values.source-value': [0.9181614, 0.80393883, 0.82934631, 0.13985796, 0.57459822, 0.64984886, 0.94135569, 0.56993124], 'meta.uuid': 'TE_468009539844_002-and-SM_503555646986_000-1711749708-tr'}]
Runtime arguments (literal dictonary)?
{}
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'Si']
representative atom coordinates =  [[0.5        0.         0.        ]
 [0.80393883 0.19606117 0.25      ]
 [0.82934631 0.13985796 0.57459822]
 [0.64984886 0.94135569 0.56993124]]
spacegroup =  163
cell =  [[8.4129, 0, 0], [-4.20645, 7.2857851194981, 0], [0, 0, 7.7244]]
=========================================

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 3 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 9 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 9 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 20 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 20 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 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 20 steps.
Minimization converged after 20 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 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 18 steps.
Minimization converged after 18 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 15 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 20 steps.
Minimization converged after 20 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 9 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 9 steps.
Minimization converged after 16 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 14 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 14 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 8 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 8 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 13 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 7 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 9 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 9 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 7 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 8 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 8 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 5 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 9 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 4 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 4 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 6 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 5 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 5 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 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]:
[[ 1.83319  0.58608  0.20348  0.       0.03197 -0.     ]
 [ 0.58608  1.83332  0.20342  0.      -0.03194  0.     ]
 [ 0.20348  0.20342  1.73184 -0.      -0.      -0.     ]
 [ 0.       0.      -0.       0.24109 -0.      -0.032  ]
 [ 0.03197 -0.03194 -0.      -0.       0.24107  0.     ]
 [-0.       0.      -0.      -0.032    0.       0.62361]]


95%% Error estimate [ASE units]:
[[0.00018 0.00014 0.0002  0.      0.00007 0.     ]
 [0.00014 0.0003  0.00014 0.      0.00004 0.00001]
 [0.0002  0.00014 0.00021 0.      0.00001 0.     ]
 [0.      0.      0.      0.00004 0.      0.00008]
 [0.00007 0.00004 0.00001 0.      0.00006 0.     ]
 [0.      0.00001 0.      0.00008 0.      0.00007]]


Maximum deviation from material symmetry [ASE units]: 0.031996


WARNING: Maximum deviation from material symmetry according to space group 163 is too big
compared to maximum elastic constant component 1.833323 [ASE units] and requested fractional tolerance 0.010000.



Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.001,_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 3 steps.
Minimization converged after 23 steps.
Minimization converged after 25 steps.
Minimization converged after 13 steps.
Minimization converged after 21 steps.
Minimization converged after 22 steps.
Minimization converged after 13 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 23 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 23 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 26 steps.
Minimization converged after 28 steps.
Minimization converged after 28 steps.
Minimization converged after 28 steps.
Minimization converged after 28 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 12 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 12 steps.
Minimization converged after 24 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 24 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 23 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 23 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 11 steps.
Minimization converged after 20 steps.
Minimization converged after 19 steps.
Minimization converged after 11 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 22 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 22 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 22 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 21 steps.
Minimization converged after 21 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 21 steps.
Minimization converged after 21 steps.
Minimization converged after 17 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 11 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 11 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 20 steps.
Minimization converged after 21 steps.
Minimization converged after 21 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 12 steps.
Minimization converged after 12 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 20 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 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 11 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 11 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 18 steps.
Minimization converged after 19 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 12 steps.
Minimization converged after 12 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 19 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 20 steps.
Minimization converged after 20 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 15 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 20 steps.
Minimization converged after 20 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 17 steps.
Minimization converged after 9 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 9 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 20 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 20 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 16 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 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 18 steps.
Minimization converged after 18 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 15 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 19 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 9 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 9 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 14 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 14 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 16 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 8 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 8 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 11 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 11 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 7 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 13 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 9 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 9 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 6 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 6 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 8 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 8 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 5 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 9 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 6 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 5 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 5 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.

Summary of completed elastic constants calculation:

Method: energy-condensed
Step generator: MaxStepGenerator(_base_step=0.001,_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]:
[[ 1.8332   0.58597  0.20341  0.       0.03197 -0.     ]
 [ 0.58597  1.8332   0.20341  0.      -0.03197 -0.     ]
 [ 0.20341  0.20341  1.73184 -0.       0.      -0.     ]
 [ 0.       0.      -0.       0.24112  0.      -0.03197]
 [ 0.03197 -0.03197  0.       0.       0.24112 -0.     ]
 [-0.      -0.      -0.      -0.03197 -0.       0.62361]]


95%% Error estimate [ASE units]:
[[0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]]


Maximum deviation from material symmetry [ASE units]: 0.031974


WARNING: Maximum deviation from material symmetry according to space group 163 is too big
compared to maximum elastic constant component 1.833201 [ASE units] and requested fractional tolerance 0.010000.



Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.01,_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 3 steps.
Minimization converged after 28 steps.
Minimization converged after 33 steps.
Minimization converged after 13 steps.
Minimization converged after 28 steps.
Minimization converged after 27 steps.
Minimization converged after 14 steps.
Minimization converged after 25 steps.
Minimization converged after 27 steps.
Minimization converged after 24 steps.
Minimization converged after 28 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 27 steps.
Minimization converged after 31 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 25 steps.
Minimization converged after 32 steps.
Minimization converged after 23 steps.
Minimization converged after 26 steps.
Minimization converged after 23 steps.
Minimization converged after 31 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 26 steps.
Minimization converged after 32 steps.
Minimization converged after 27 steps.
Minimization converged after 28 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 15 steps.
Minimization converged after 17 steps.
Minimization converged after 28 steps.
Minimization converged after 28 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 35 steps.
Minimization converged after 35 steps.
Minimization converged after 34 steps.
Minimization converged after 31 steps.
Minimization converged after 34 steps.
Minimization converged after 31 steps.
Minimization converged after 30 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 30 steps.
Minimization converged after 24 steps.
Minimization converged after 28 steps.
Minimization converged after 35 steps.
Minimization converged after 35 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 25 steps.
Minimization converged after 32 steps.
Minimization converged after 13 steps.
Minimization converged after 27 steps.
Minimization converged after 26 steps.
Minimization converged after 13 steps.
Minimization converged after 23 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 28 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 26 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 27 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 29 steps.
Minimization converged after 32 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 26 steps.
Minimization converged after 31 steps.
Minimization converged after 35 steps.
Minimization converged after 35 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 29 steps.
Minimization converged after 31 steps.
Minimization converged after 25 steps.
Minimization converged after 30 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 25 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 31 steps.
Minimization converged after 35 steps.
Minimization converged after 35 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 31 steps.
Minimization converged after 30 steps.
Minimization converged after 31 steps.
Minimization converged after 30 steps.
Minimization converged after 28 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 28 steps.
Minimization converged after 24 steps.
Minimization converged after 28 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 25 steps.
Minimization converged after 28 steps.
Minimization converged after 12 steps.
Minimization converged after 24 steps.
Minimization converged after 25 steps.
Minimization converged after 13 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 35 steps.
Minimization converged after 35 steps.
Minimization converged after 25 steps.
Minimization converged after 28 steps.
Minimization converged after 29 steps.
Minimization converged after 24 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 25 steps.
Minimization converged after 30 steps.
Minimization converged after 24 steps.
Minimization converged after 26 steps.
Minimization converged after 24 steps.
Minimization converged after 26 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 35 steps.
Minimization converged after 35 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 25 steps.
Minimization converged after 29 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 31 steps.
Minimization converged after 31 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 35 steps.
Minimization converged after 35 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 25 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 25 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 25 steps.
Minimization converged after 26 steps.
Minimization converged after 12 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 12 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 25 steps.
Minimization converged after 28 steps.
Minimization converged after 28 steps.
Minimization converged after 24 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 25 steps.
Minimization converged after 29 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 28 steps.
Minimization converged after 25 steps.
Minimization converged after 24 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 14 steps.
Minimization converged after 15 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 25 steps.
Minimization converged after 24 steps.
Minimization converged after 25 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 21 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 12 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 12 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 28 steps.
Minimization converged after 28 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 24 steps.
Minimization converged after 26 steps.
Minimization converged after 27 steps.
Minimization converged after 24 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 28 steps.
Minimization converged after 28 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 27 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 25 steps.
Minimization converged after 21 steps.
Minimization converged after 28 steps.
Minimization converged after 28 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 23 steps.
Minimization converged after 25 steps.
Minimization converged after 13 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 13 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 23 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 23 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 25 steps.
Minimization converged after 22 steps.
Minimization converged after 23 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 13 steps.
Minimization converged after 14 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 22 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 12 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 11 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 23 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 23 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 12 steps.
Minimization converged after 20 steps.
Minimization converged after 19 steps.
Minimization converged after 12 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 16 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 16 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 11 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 11 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 21 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 20 steps.
Minimization converged after 21 steps.
Minimization converged after 21 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 12 steps.
Minimization converged after 12 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 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 19 steps.
Minimization converged after 17 steps.
Minimization converged after 20 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 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 11 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 11 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 21 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 18 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 18 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 12 steps.
Minimization converged after 12 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 19 steps.
Minimization converged after 18 steps.
Minimization converged after 19 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 19 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 15 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 20 steps.
Minimization converged after 20 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 17 steps.
Minimization converged after 9 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 9 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 20 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 20 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 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 16 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 16 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 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 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 15 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 20 steps.
Minimization converged after 20 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 9 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 9 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 9 steps.
Minimization converged after 9 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 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 14 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 14 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 8 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 8 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 11 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 11 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 7 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 8 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 9 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 9 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.

Summary of completed elastic constants calculation:

Method: energy-condensed
Step generator: MaxStepGenerator(_base_step=0.01,_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]:
[[ 1.8332   0.58598  0.20341 -0.       0.03197 -0.     ]
 [ 0.58598  1.8332   0.20341 -0.      -0.03197 -0.     ]
 [ 0.20341  0.20341  1.73184  0.       0.      -0.     ]
 [-0.      -0.       0.       0.24112 -0.      -0.03197]
 [ 0.03197 -0.03197  0.      -0.       0.24112  0.     ]
 [-0.      -0.      -0.      -0.03197  0.       0.62361]]


95%% Error estimate [ASE units]:
[[0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]]


Maximum deviation from material symmetry [ASE units]: 0.031972


WARNING: Maximum deviation from material symmetry according to space group 163 is too big
compared to maximum elastic constant component 1.833201 [ASE units] and requested fractional tolerance 0.010000.



Unable to compute elastic constants with method energy-condensed, escalating to method stress-condensed


Attempting to compute elastic constants with method stress-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 3 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 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 9 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.

Summary of completed elastic constants calculation:

Method: stress-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]:
[[ 1.89378  0.5738   0.22602  0.       0.0413   0.     ]
 [ 0.5738   1.83405  0.22553  0.      -0.04124  0.     ]
 [ 0.22602  0.22553  1.79451  0.      -0.00001  0.     ]
 [ 0.       0.       0.       0.24098  0.      -0.03227]
 [ 0.0413  -0.04124 -0.00001  0.       0.24098 -0.     ]
 [ 0.       0.       0.      -0.03227 -0.       0.62396]]


95%% Error estimate [ASE units]:
[[0.0021  0.01468 0.00948 0.      0.00125 0.     ]
 [0.01468 0.00044 0.00125 0.      0.0036  0.     ]
 [0.00948 0.00125 0.00038 0.      0.      0.     ]
 [0.      0.      0.      0.00333 0.      0.00061]
 [0.00125 0.0036  0.      0.      0.00337 0.     ]
 [0.      0.      0.      0.00061 0.      0.00018]]


Maximum deviation from material symmetry [ASE units]: 0.059725


WARNING: Maximum deviation from material symmetry according to space group 163 is too big
compared to maximum elastic constant component 1.893778 [ASE units] and requested fractional tolerance 0.010000.



Attempting to compute elastic constants with method stress-condensed and step generator MaxStepGenerator(_base_step=0.001,_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 3 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 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 9 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.

Summary of completed elastic constants calculation:

Method: stress-condensed
Step generator: MaxStepGenerator(_base_step=0.001,_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]:
[[ 1.83273  0.58615  0.20368  0.       0.03197  0.     ]
 [ 0.58615  1.83353  0.20359  0.      -0.03206  0.     ]
 [ 0.20368  0.20359  1.73155 -0.       0.      -0.     ]
 [ 0.       0.      -0.       0.24111  0.      -0.03191]
 [ 0.03197 -0.03206  0.       0.       0.24103  0.     ]
 [ 0.       0.      -0.      -0.03191  0.       0.62365]]


95%% Error estimate [ASE units]:
[[0.00123 0.00116 0.00099 0.      0.00026 0.     ]
 [0.00116 0.00044 0.00064 0.      0.00041 0.     ]
 [0.00099 0.00064 0.00122 0.      0.      0.     ]
 [0.      0.      0.      0.00016 0.      0.00027]
 [0.00026 0.00041 0.      0.      0.00024 0.     ]
 [0.      0.      0.      0.00027 0.      0.00008]]


Maximum deviation from material symmetry [ASE units]: 0.032057


WARNING: Maximum deviation from material symmetry according to space group 163 is too big
compared to maximum elastic constant component 1.833535 [ASE units] and requested fractional tolerance 0.010000.



Attempting to compute elastic constants with method stress-condensed and step generator MaxStepGenerator(_base_step=0.01,_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 3 steps.
Minimization converged after 25 steps.
Minimization converged after 31 steps.
Minimization converged after 29 steps.
Minimization converged after 32 steps.
Minimization converged after 17 steps.
Minimization converged after 15 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 25 steps.
Minimization converged after 26 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 25 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 30 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 28 steps.
Minimization converged after 28 steps.
Minimization converged after 24 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 28 steps.
Minimization converged after 28 steps.
Minimization converged after 24 steps.
Minimization converged after 21 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 25 steps.
Minimization converged after 25 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 19 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 12 steps.
Minimization converged after 12 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 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 11 steps.
Minimization converged after 11 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 11 steps.
Minimization converged after 11 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 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.

Summary of completed elastic constants calculation:

Method: stress-condensed
Step generator: MaxStepGenerator(_base_step=0.01,_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]:
[[ 1.8332   0.586    0.20346  0.       0.03199 -0.     ]
 [ 0.586    1.8332   0.20349 -0.      -0.03197 -0.     ]
 [ 0.20346  0.20349  1.73179 -0.      -0.      -0.     ]
 [ 0.      -0.      -0.       0.24113  0.      -0.03193]
 [ 0.03199 -0.03197 -0.       0.       0.24109 -0.     ]
 [-0.      -0.      -0.      -0.03193 -0.       0.62362]]


95%% Error estimate [ASE units]:
[[0.00001 0.0001  0.00004 0.      0.00007 0.     ]
 [0.0001  0.      0.00015 0.      0.00003 0.     ]
 [0.00004 0.00015 0.00014 0.      0.      0.     ]
 [0.      0.      0.      0.00001 0.      0.00003]
 [0.00007 0.00003 0.      0.      0.00007 0.     ]
 [0.      0.      0.      0.00003 0.      0.00001]]


Maximum deviation from material symmetry [ASE units]: 0.031987


WARNING: Maximum deviation from material symmetry according to space group 163 is too big
compared to maximum elastic constant component 1.833202 [ASE units] and requested fractional tolerance 0.010000.



Attempting to compute elastic constants with method stress-condensed and step generator MaxStepGenerator(_base_step=0.1,_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 3 steps.
Minimization converged after 39 steps.
Minimization converged after 27 steps.
Minimization converged after 43 steps.
Minimization converged after 29 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 55 steps.
Minimization converged after 55 steps.
Minimization converged after 46 steps.
Minimization converged after 34 steps.
Minimization converged after 187 steps.

The following exception was caught during minimization:
RuntimeError('LineSearch failed!')

Minimization stalled after 61 steps.

Final forces:
[[ 0.01052165 -0.00397789 -0.00263936]
 [-0.19887545  0.06459683  0.05005505]
 [-0.02258376 -0.02967745  0.0126648 ]
 [ 0.00089808  0.00174986  0.00976528]
 [-0.00824482 -0.00266074 -0.00126633]
 [-0.02939876 -0.02755543 -0.00131706]
 [-0.00141733 -0.01344067 -0.07772307]
 [ 0.11475797 -0.00229267 -0.15881416]
 [-0.03109279  0.00548188  0.00942977]
 [-0.01063889  0.00536214  0.08226027]
 [ 0.0260395   0.03555982 -0.10589163]
 [ 0.04352553  0.00111941 -0.00804016]
 [ 0.01071284  0.00796786  0.05354725]
 [ 0.03599008  0.0345729   0.01904155]
 [ 0.02008693 -0.04778523  0.04040519]
 [-0.03999904  0.04342696  0.06151687]
 [-0.00830056  0.01671697 -0.01121819]
 [ 0.10301962  0.03376072  0.0403792 ]
 [ 0.02778649  0.03911728 -0.05546936]
 [ 0.1409122  -0.02219469  0.04790817]
 [-0.02246766  0.05279452 -0.04507808]
 [-0.10073308 -0.06671805 -0.01407862]
 [ 0.01860768  0.01493077  0.01059101]
 [ 0.13582747 -0.05461517 -0.01219181]
 [ 0.03434375 -0.02240054  0.01631263]
 [-0.08431876  0.01637347  0.0108831 ]
 [ 0.01817341  0.02578669  0.01656118]
 [ 0.02479824 -0.02215547  0.00886344]
 [ 0.09194577  0.06024933 -0.02322386]
 [-0.06547881  0.02377772  0.01540725]
 [-0.03835922 -0.01740606 -0.02109668]
 [-0.00532118 -0.03544706  0.00126219]
 [-0.08637426 -0.00144589 -0.03660387]
 [-0.04032805 -0.07602341  0.10059959]
 [-0.02096472 -0.01049009 -0.03007681]
 [-0.04305009 -0.02705862 -0.00272475]]

Final stress:
[-0.09695872 -0.00768696 -0.00648699 -0.00980852  0.00817095 -0.06736873]

Minimization converged after 35 steps.
Minimization converged after 31 steps.
Minimization converged after 35 steps.
Minimization converged after 30 steps.
Minimization converged after 11 steps.
Minimization converged after 18 steps.
Minimization converged after 55 steps.
Minimization converged after 55 steps.
Minimization converged after 35 steps.
Minimization converged after 28 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 28 steps.
Minimization converged after 27 steps.
Minimization converged after 26 steps.
Minimization converged after 30 steps.
Minimization converged after 12 steps.
Minimization converged after 18 steps.
Minimization converged after 48 steps.
Minimization converged after 48 steps.
Minimization converged after 29 steps.
Minimization converged after 27 steps.
Minimization converged after 42 steps.
Minimization converged after 42 steps.
Minimization converged after 28 steps.
Minimization converged after 33 steps.
Minimization converged after 25 steps.
Minimization converged after 33 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 26 steps.
Minimization converged after 28 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 25 steps.
Minimization converged after 32 steps.
Minimization converged after 25 steps.
Minimization converged after 32 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 24 steps.
Minimization converged after 28 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 24 steps.
Minimization converged after 31 steps.
Minimization converged after 25 steps.
Minimization converged after 32 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 25 steps.
Minimization converged after 26 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 25 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 30 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 24 steps.
Minimization converged after 22 steps.
Minimization converged after 28 steps.
Minimization converged after 28 steps.
Minimization converged after 24 steps.
Minimization converged after 25 steps.
Minimization converged after 24 steps.
Minimization converged after 25 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 23 steps.
Minimization converged after 21 steps.
Minimization converged after 27 steps.
Minimization converged after 27 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 19 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 19 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 22 steps.
Minimization converged after 22 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.

Summary of completed elastic constants calculation:

Method: stress-condensed
Step generator: MaxStepGenerator(_base_step=0.1,_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]:
[[ 1.83318  0.58604  0.20348  0.       0.0319   0.     ]
 [ 0.58604  1.83319  0.20348 -0.      -0.03197  0.     ]
 [ 0.20348  0.20348  1.73178  0.      -0.       0.     ]
 [ 0.      -0.       0.       0.24112  0.      -0.03195]
 [ 0.0319  -0.03197 -0.       0.       0.24113  0.     ]
 [ 0.       0.       0.      -0.03195  0.       0.62361]]


95%% Error estimate [ASE units]:
[[0.00003 0.00008 0.00005 0.      0.00012 0.     ]
 [0.00008 0.00007 0.00013 0.      0.00004 0.     ]
 [0.00005 0.00013 0.00012 0.      0.00001 0.     ]
 [0.      0.      0.      0.      0.      0.00003]
 [0.00012 0.00004 0.00001 0.      0.00003 0.     ]
 [0.      0.      0.      0.00003 0.      0.00003]]


Maximum deviation from material symmetry [ASE units]: 0.031972


WARNING: Maximum deviation from material symmetry according to space group 163 is too big
compared to maximum elastic constant component 1.833192 [ASE units] and requested fractional tolerance 0.010000.


WARNING: None of the calculations successfully completed with errors within tolerance.
Using the following run with the lowest errors:

Method: energy-condensed
Step generator: MaxStepGenerator(_base_step=0.01,_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]:
[[ 1.8332   0.58598  0.20341 -0.       0.03197 -0.     ]
 [ 0.58598  1.8332   0.20341 -0.      -0.03197 -0.     ]
 [ 0.20341  0.20341  1.73184  0.       0.      -0.     ]
 [-0.      -0.       0.       0.24112 -0.      -0.03197]
 [ 0.03197 -0.03197  0.      -0.       0.24112  0.     ]
 [-0.      -0.      -0.      -0.03197  0.       0.62361]]


95%% Error estimate [ASE units]:
[[0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]
 [0. 0. 0. 0. 0. 0.]]


Maximum deviation from material symmetry [ASE units]: 0.031972


WARNING: Maximum deviation from material symmetry according to space group 163 is too big
compared to maximum elastic constant component 1.833201 [ASE units] and requested fractional tolerance 0.010000.



R E S U L T S

Elastic constants [GPa]:
[[293.71125  93.88374  32.58995  -0.        5.12249  -0.     ]
 [ 93.88374 293.71125  32.58996  -0.       -5.12247  -0.     ]
 [ 32.58995  32.58996 277.47114   0.        0.       -0.     ]
 [ -0.       -0.        0.       38.6321   -0.       -5.12247]
 [  5.12249  -5.12247   0.       -0.       38.63211   0.     ]
 [ -0.       -0.       -0.       -5.12247   0.       99.91376]]

95 %% Error estimate [GPa]:
[[0.00004 0.00001 0.00001 0.      0.00005 0.     ]
 [0.00001 0.00004 0.00006 0.      0.00003 0.     ]
 [0.00001 0.00006 0.00024 0.      0.00001 0.     ]
 [0.      0.      0.      0.00006 0.      0.00005]
 [0.00005 0.00003 0.00001 0.      0.00002 0.     ]
 [0.      0.      0.      0.00005 0.      0.00006]]

Maximum deviation from material symmetry [GPa] = 5.12249

Bulk modulus [GPa] = 129.80195

Unique elastic constants for space group 163 [GPa]
['c11', 'c12', 'c13', 'c14', 'c33', 'c44']
[293.711245520675, 93.88374249564419, 32.58994889112924, -1.7891024061362341e-09, 277.4711424344198, 38.63209781390557]

Nearest matrix of isotropic elastic constants:
Distance to isotropic state [-]  = 1.19909
Isotropic bulk modulus      [GPa] = 130.72456
Isotropic shear modulus     [GPa] = 72.29849