Model name?
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
Stoichiometric species (literal list of strings)?
['C', 'N']
Prototype label?
A2B_cP72_205_2d_d
Temperature (K)?
No temperature given
Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)?
No stress given
Query result (literal list of dicts)?
[{'instance-id': 2, 'a.si-value': 1.10521e-09, 'parameter-names.source-value': ['x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3'], 'parameter-values.source-value': [0.10085846, 0.91890843, 0.99751934, 0.20776104, 0.86117453, 0.010916094, 0.28534807, 0.77052062, 0.013935422], 'meta.uuid': 'TE_050827134382_002-and-MO_105008013807_000-1711749243-tr'}]
Runtime arguments (literal dictonary)?
{}
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'N']
representative atom coordinates =  [[0.10085846 0.91890843 0.99751934]
 [0.20776104 0.86117453 0.01091609]
 [0.28534807 0.77052062 0.01393542]]
spacegroup =  205
cell =  [[11.0521, 0, 0], [0, 11.0521, 0], [0, 0, 11.0521]]
=========================================

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 5 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 15 steps.
Minimization converged after 15 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 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 19 steps.
Minimization converged after 19 steps.
Minimization converged after 15 steps.
Minimization converged after 15 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 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 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 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 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 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 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 22 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 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 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 21 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 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 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 21 steps.
Minimization converged after 21 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 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 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 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 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 21 steps.
Minimization converged after 21 steps.
Minimization converged after 18 steps.
Minimization converged after 18 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 15 steps.
Minimization converged after 20 steps.
Minimization converged after 20 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 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 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 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 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 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 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 19 steps.
Minimization converged after 19 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 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 19 steps.
Minimization converged after 19 steps.
Minimization converged after 14 steps.
Minimization converged after 18 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 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 18 steps.
Minimization converged after 18 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 14 steps.
Minimization converged after 18 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 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 19 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 14 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 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 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 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 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 13 steps.
Minimization converged after 13 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 14 steps.
Minimization converged after 14 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 15 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 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 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 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 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 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 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 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 12 steps.
Minimization converged after 13 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 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 13 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 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 13 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 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 13 steps.
Minimization converged after 13 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 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 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 11 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 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 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 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 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 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 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 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 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 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 9 steps.
Minimization converged after 11 steps.
Minimization converged after 8 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 8 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 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 10 steps.
Minimization converged after 10 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 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 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 8 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 10 steps.
Minimization converged after 10 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 11 steps.
Minimization converged after 11 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 12 steps.
Minimization converged after 12 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 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 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 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 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 9 steps.
Minimization converged after 9 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 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 9 steps.
Minimization converged after 9 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 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 11 steps.
Minimization converged after 11 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 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 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 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 7 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 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 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 7 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 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.

Summary of completed elastic constants calculation:

Method: energy-condensed
Step generator: MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2))


Raw elastic constants [ASE units]:
[[ 0.00017  0.00004  0.00004 -0.      -0.      -0.     ]
 [ 0.00004  0.00017  0.00004  0.      -0.      -0.     ]
 [ 0.00004  0.00004  0.00017 -0.       0.      -0.     ]
 [-0.       0.      -0.       0.00012  0.      -0.     ]
 [-0.      -0.       0.       0.       0.00012 -0.     ]
 [-0.      -0.      -0.      -0.      -0.       0.00012]]


95%% Error estimate [ASE units]:
[[0.00016 0.00052 0.00052 0.      0.      0.     ]
 [0.00052 0.00016 0.00052 0.      0.      0.     ]
 [0.00052 0.00052 0.00016 0.      0.      0.     ]
 [0.      0.      0.      0.00001 0.      0.     ]
 [0.      0.      0.      0.      0.00001 0.     ]
 [0.      0.      0.      0.      0.      0.00001]]


WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.000259 
is too big compared to maximum elastic constant component 0.000168 [ASE units] and requested fractional tolerance 0.010000.


Maximum deviation from material symmetry [ASE units]: 0.000003


WARNING: Maximum deviation from material symmetry according to space group 205 is too big
compared to maximum elastic constant component 0.000168 [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 5 steps.
Minimization converged after 36 steps.
Minimization converged after 34 steps.
Minimization converged after 29 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 29 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 40 steps.
Minimization converged after 39 steps.
Minimization converged after 37 steps.
Minimization converged after 38 steps.
Minimization converged after 37 steps.
Minimization converged after 38 steps.
Minimization converged after 37 steps.
Minimization converged after 36 steps.
Minimization converged after 38 steps.
Minimization converged after 39 steps.
Minimization converged after 37 steps.
Minimization converged after 30 steps.
Minimization converged after 29 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 29 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 39 steps.
Minimization converged after 39 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 38 steps.
Minimization converged after 37 steps.
Minimization converged after 40 steps.
Minimization converged after 37 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 38 steps.
Minimization converged after 37 steps.
Minimization converged after 38 steps.
Minimization converged after 40 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 38 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 41 steps.
Minimization converged after 41 steps.
Minimization converged after 41 steps.
Minimization converged after 41 steps.
Minimization converged after 41 steps.
Minimization converged after 41 steps.
Minimization converged after 41 steps.
Minimization converged after 41 steps.
Minimization converged after 42 steps.
Minimization converged after 42 steps.
Minimization converged after 41 steps.
Minimization converged after 41 steps.
Minimization converged after 41 steps.
Minimization converged after 41 steps.
Minimization converged after 43 steps.
Minimization converged after 42 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 17 steps.
Minimization converged after 19 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 17 steps.
Minimization converged after 21 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 35 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 35 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 17 steps.
Minimization converged after 19 steps.
Minimization converged after 21 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 35 steps.
Minimization converged after 35 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 34 steps.
Minimization converged after 35 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 36 steps.
Minimization converged after 35 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 36 steps.
Minimization converged after 34 steps.
Minimization converged after 35 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 42 steps.
Minimization converged after 40 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 39 steps.
Minimization converged after 40 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 22 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 22 steps.
Minimization converged after 31 steps.
Minimization converged after 30 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 31 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 22 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 32 steps.
Minimization converged after 30 steps.
Minimization converged after 31 steps.
Minimization converged after 30 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 31 steps.
Minimization converged after 34 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 31 steps.
Minimization converged after 34 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 30 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 35 steps.
Minimization converged after 34 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 37 steps.
Minimization converged after 36 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 33 steps.
Minimization converged after 31 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 33 steps.
Minimization converged after 34 steps.
Minimization converged after 31 steps.
Minimization converged after 31 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 31 steps.
Minimization converged after 33 steps.
Minimization converged after 34 steps.
Minimization converged after 33 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 33 steps.
Minimization converged after 32 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 34 steps.
Minimization converged after 33 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 34 steps.
Minimization converged after 33 steps.
Minimization converged after 32 steps.
Minimization converged after 31 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 31 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 33 steps.
Minimization converged after 32 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 32 steps.
Minimization converged after 32 steps.
Minimization converged after 36 steps.
Minimization converged after 33 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 23 steps.
Minimization converged after 23 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 28 steps.
Minimization converged after 29 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 28 steps.
Minimization converged after 29 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 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 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 29 steps.
Minimization converged after 28 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 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 31 steps.
Minimization converged after 31 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 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 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 21 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 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 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 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 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 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 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 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 22 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 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 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 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 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 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 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 21 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 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 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 20 steps.
Minimization converged after 20 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 18 steps.
Minimization converged after 18 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 15 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 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 19 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 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 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 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 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 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 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 19 steps.
Minimization converged after 19 steps.
Minimization converged after 14 steps.
Minimization converged after 18 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 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 16 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 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 18 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 18 steps.
Minimization converged after 18 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 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 14 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 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 19 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 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 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 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 12 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 13 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 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 13 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 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 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 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 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 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 12 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 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 13 steps.
Minimization converged after 13 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 13 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 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 13 steps.
Minimization converged after 13 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 13 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 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 13 steps.
Minimization converged after 13 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 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 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 11 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 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 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 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 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 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 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 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 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 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 9 steps.
Minimization converged after 11 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 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 10 steps.
Minimization converged after 10 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 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 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 8 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 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 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 8 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 13 steps.
Minimization converged after 10 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 11 steps.
Minimization converged after 11 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 13 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 10 steps.
Minimization converged after 10 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 11 steps.
Minimization converged after 11 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 12 steps.
Minimization converged after 12 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]:
[[ 0.00001  0.00001  0.00001  0.       0.       0.     ]
 [ 0.00001  0.00001  0.00001 -0.       0.      -0.     ]
 [ 0.00001  0.00001  0.00001  0.       0.       0.     ]
 [ 0.      -0.       0.       0.00012 -0.      -0.     ]
 [ 0.       0.       0.      -0.       0.00012 -0.     ]
 [ 0.      -0.       0.      -0.      -0.       0.00012]]


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.      0.00001 0.      0.     ]
 [0.      0.      0.      0.      0.00001 0.     ]
 [0.      0.      0.      0.      0.      0.00001]]


WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.000004 
is too big compared to maximum elastic constant component 0.000119 [ASE units] and requested fractional tolerance 0.010000.


Maximum deviation from material symmetry [ASE units]: 0.000000



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 5 steps.
Minimization converged after 44 steps.
Minimization converged after 47 steps.
Minimization converged after 47 steps.
Minimization converged after 42 steps.
Minimization converged after 41 steps.
Minimization converged after 44 steps.
Minimization converged after 46 steps.
Minimization converged after 41 steps.
Minimization converged after 42 steps.
Minimization converged after 45 steps.
Minimization converged after 70 steps.
Minimization converged after 54 steps.
Minimization converged after 70 steps.
Minimization converged after 70 steps.
Minimization converged after 71 steps.
Minimization converged after 53 steps.
Minimization converged after 57 steps.
Minimization converged after 53 steps.
Minimization converged after 69 steps.
Minimization converged after 70 steps.
Minimization converged after 53 steps.
Minimization converged after 70 steps.
Minimization converged after 44 steps.
Minimization converged after 46 steps.
Minimization converged after 44 steps.
Minimization converged after 42 steps.
Minimization converged after 41 steps.
Minimization converged after 45 steps.
Minimization converged after 70 steps.
Minimization converged after 70 steps.
Minimization converged after 53 steps.
Minimization converged after 53 steps.
Minimization converged after 54 steps.
Minimization converged after 71 steps.
Minimization converged after 70 steps.
Minimization converged after 56 steps.
Minimization converged after 70 steps.
Minimization converged after 71 steps.
Minimization converged after 70 steps.
Minimization converged after 70 steps.
Minimization converged after 45 steps.
Minimization converged after 46 steps.
Minimization converged after 53 steps.
Minimization converged after 71 steps.
Minimization converged after 53 steps.
Minimization converged after 70 steps.
Minimization converged after 53 steps.
Minimization converged after 68 steps.
Minimization converged after 53 steps.
Minimization converged after 53 steps.
Minimization converged after 70 steps.
Minimization converged after 71 steps.
Minimization converged after 70 steps.
Minimization converged after 56 steps.
Minimization converged after 78 steps.
Minimization converged after 75 steps.
Minimization converged after 73 steps.
Minimization converged after 74 steps.
Minimization converged after 74 steps.
Minimization converged after 73 steps.
Minimization converged after 74 steps.
Minimization converged after 74 steps.
Minimization converged after 74 steps.
Minimization converged after 73 steps.
Minimization converged after 78 steps.
Minimization converged after 78 steps.
Minimization converged after 73 steps.
Minimization converged after 74 steps.
Minimization converged after 74 steps.
Minimization converged after 73 steps.
Minimization converged after 75 steps.
Minimization converged after 74 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 41 steps.
Minimization converged after 36 steps.
Minimization converged after 40 steps.
Minimization converged after 41 steps.
Minimization converged after 41 steps.
Minimization converged after 41 steps.
Minimization converged after 35 steps.
Minimization converged after 39 steps.
Minimization converged after 50 steps.
Minimization converged after 50 steps.
Minimization converged after 52 steps.
Minimization converged after 52 steps.
Minimization converged after 53 steps.
Minimization converged after 51 steps.
Minimization converged after 53 steps.
Minimization converged after 50 steps.
Minimization converged after 51 steps.
Minimization converged after 49 steps.
Minimization converged after 49 steps.
Minimization converged after 48 steps.
Minimization converged after 46 steps.
Minimization converged after 45 steps.
Minimization converged after 40 steps.
Minimization converged after 35 steps.
Minimization converged after 42 steps.
Minimization converged after 43 steps.
Minimization converged after 49 steps.
Minimization converged after 49 steps.
Minimization converged after 48 steps.
Minimization converged after 49 steps.
Minimization converged after 50 steps.
Minimization converged after 50 steps.
Minimization converged after 52 steps.
Minimization converged after 52 steps.
Minimization converged after 51 steps.
Minimization converged after 53 steps.
Minimization converged after 52 steps.
Minimization converged after 51 steps.
Minimization converged after 45 steps.
Minimization converged after 46 steps.
Minimization converged after 51 steps.
Minimization converged after 51 steps.
Minimization converged after 52 steps.
Minimization converged after 49 steps.
Minimization converged after 52 steps.
Minimization converged after 51 steps.
Minimization converged after 49 steps.
Minimization converged after 49 steps.
Minimization converged after 50 steps.
Minimization converged after 50 steps.
Minimization converged after 52 steps.
Minimization converged after 52 steps.
Minimization converged after 71 steps.
Minimization converged after 74 steps.
Minimization converged after 68 steps.
Minimization converged after 68 steps.
Minimization converged after 68 steps.
Minimization converged after 68 steps.
Minimization converged after 68 steps.
Minimization converged after 68 steps.
Minimization converged after 68 steps.
Minimization converged after 68 steps.
Minimization converged after 71 steps.
Minimization converged after 72 steps.
Minimization converged after 68 steps.
Minimization converged after 68 steps.
Minimization converged after 68 steps.
Minimization converged after 68 steps.
Minimization converged after 70 steps.
Minimization converged after 71 steps.
Minimization converged after 45 steps.
Minimization converged after 42 steps.
Minimization converged after 41 steps.
Minimization converged after 22 steps.
Minimization converged after 24 steps.
Minimization converged after 40 steps.
Minimization converged after 42 steps.
Minimization converged after 26 steps.
Minimization converged after 26 steps.
Minimization converged after 35 steps.
Minimization converged after 50 steps.
Minimization converged after 50 steps.
Minimization converged after 49 steps.
Minimization converged after 49 steps.
Minimization converged after 49 steps.
Minimization converged after 47 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 48 steps.
Minimization converged after 48 steps.
Minimization converged after 47 steps.
Minimization converged after 46 steps.
Minimization converged after 45 steps.
Minimization converged after 41 steps.
Minimization converged after 40 steps.
Minimization converged after 22 steps.
Minimization converged after 24 steps.
Minimization converged after 38 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 50 steps.
Minimization converged after 50 steps.
Minimization converged after 50 steps.
Minimization converged after 46 steps.
Minimization converged after 49 steps.
Minimization converged after 47 steps.
Minimization converged after 48 steps.
Minimization converged after 48 steps.
Minimization converged after 42 steps.
Minimization converged after 42 steps.
Minimization converged after 47 steps.
Minimization converged after 49 steps.
Minimization converged after 48 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 47 steps.
Minimization converged after 46 steps.
Minimization converged after 47 steps.
Minimization converged after 50 steps.
Minimization converged after 50 steps.
Minimization converged after 49 steps.
Minimization converged after 49 steps.
Minimization converged after 52 steps.
Minimization converged after 52 steps.
Minimization converged after 51 steps.
Minimization converged after 51 steps.
Minimization converged after 51 steps.
Minimization converged after 51 steps.
Minimization converged after 51 steps.
Minimization converged after 51 steps.
Minimization converged after 51 steps.
Minimization converged after 51 steps.
Minimization converged after 52 steps.
Minimization converged after 52 steps.
Minimization converged after 51 steps.
Minimization converged after 51 steps.
Minimization converged after 51 steps.
Minimization converged after 51 steps.
Minimization converged after 52 steps.
Minimization converged after 52 steps.
Minimization converged after 42 steps.
Minimization converged after 38 steps.
Minimization converged after 36 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 34 steps.
Minimization converged after 38 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 34 steps.
Minimization converged after 45 steps.
Minimization converged after 46 steps.
Minimization converged after 45 steps.
Minimization converged after 46 steps.
Minimization converged after 45 steps.
Minimization converged after 45 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 42 steps.
Minimization converged after 41 steps.
Minimization converged after 39 steps.
Minimization converged after 37 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 34 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 45 steps.
Minimization converged after 45 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 45 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 42 steps.
Minimization converged after 35 steps.
Minimization converged after 45 steps.
Minimization converged after 44 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 43 steps.
Minimization converged after 42 steps.
Minimization converged after 44 steps.
Minimization converged after 45 steps.
Minimization converged after 45 steps.
Minimization converged after 45 steps.
Minimization converged after 49 steps.
Minimization converged after 50 steps.
Minimization converged after 46 steps.
Minimization converged after 47 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 47 steps.
Minimization converged after 50 steps.
Minimization converged after 49 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 49 steps.
Minimization converged after 49 steps.
Minimization converged after 35 steps.
Minimization converged after 35 steps.
Minimization converged after 31 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 31 steps.
Minimization converged after 31 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 31 steps.
Minimization converged after 43 steps.
Minimization converged after 44 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 39 steps.
Minimization converged after 40 steps.
Minimization converged after 41 steps.
Minimization converged after 39 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 35 steps.
Minimization converged after 35 steps.
Minimization converged after 31 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 33 steps.
Minimization converged after 39 steps.
Minimization converged after 40 steps.
Minimization converged after 41 steps.
Minimization converged after 41 steps.
Minimization converged after 42 steps.
Minimization converged after 43 steps.
Minimization converged after 41 steps.
Minimization converged after 43 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 42 steps.
Minimization converged after 41 steps.
Minimization converged after 35 steps.
Minimization converged after 35 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 43 steps.
Minimization converged after 44 steps.
Minimization converged after 39 steps.
Minimization converged after 39 steps.
Minimization converged after 41 steps.
Minimization converged after 40 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 44 steps.
Minimization converged after 44 steps.
Minimization converged after 44 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 44 steps.
Minimization converged after 44 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 44 steps.
Minimization converged after 31 steps.
Minimization converged after 34 steps.
Minimization converged after 31 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 29 steps.
Minimization converged after 30 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 29 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 39 steps.
Minimization converged after 39 steps.
Minimization converged after 37 steps.
Minimization converged after 36 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 35 steps.
Minimization converged after 34 steps.
Minimization converged after 31 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 29 steps.
Minimization converged after 38 steps.
Minimization converged after 37 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 39 steps.
Minimization converged after 39 steps.
Minimization converged after 38 steps.
Minimization converged after 37 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 31 steps.
Minimization converged after 34 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 38 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 39 steps.
Minimization converged after 38 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 40 steps.
Minimization converged after 41 steps.
Minimization converged after 40 steps.
Minimization converged after 41 steps.
Minimization converged after 40 steps.
Minimization converged after 41 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 43 steps.
Minimization converged after 44 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 21 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 21 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 21 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 38 steps.
Minimization converged after 37 steps.
Minimization converged after 34 steps.
Minimization converged after 33 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 33 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 19 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 19 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 31 steps.
Minimization converged after 34 steps.
Minimization converged after 32 steps.
Minimization converged after 33 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 31 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 19 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 31 steps.
Minimization converged after 30 steps.
Minimization converged after 32 steps.
Minimization converged after 30 steps.
Minimization converged after 30 steps.
Minimization converged after 31 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 31 steps.
Minimization converged after 31 steps.
Minimization converged after 33 steps.
Minimization converged after 32 steps.
Minimization converged after 30 steps.
Minimization converged after 30 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 36 steps.
Minimization converged after 36 steps.
Minimization converged after 37 steps.
Minimization converged after 36 steps.
Minimization converged after 37 steps.
Minimization converged after 36 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 31 steps.
Minimization converged after 33 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 31 steps.
Minimization converged after 34 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 21 steps.
Minimization converged after 31 steps.
Minimization converged after 32 steps.
Minimization converged after 31 steps.
Minimization converged after 31 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 33 steps.
Minimization converged after 33 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 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 31 steps.
Minimization converged after 32 steps.
Minimization converged after 34 steps.
Minimization converged after 31 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 32 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 33 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 33 steps.
Minimization converged after 31 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 22 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 19 steps.
Minimization converged after 16 steps.
Minimization converged after 16 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 21 steps.
Minimization converged after 21 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 22 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 21 steps.
Minimization converged after 21 steps.
Minimization converged after 31 steps.
Minimization converged after 32 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 29 steps.
Minimization converged after 29 steps.
Minimization converged after 31 steps.
Minimization converged after 32 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 29 steps.
Minimization converged after 32 steps.
Minimization converged after 31 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 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 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 21 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 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 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 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 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 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 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 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 22 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 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 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 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 18 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 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 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 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 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 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 20 steps.
Minimization converged after 20 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 18 steps.
Minimization converged after 18 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 15 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 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 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 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 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 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 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 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 19 steps.
Minimization converged after 19 steps.
Minimization converged after 14 steps.
Minimization converged after 18 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 15 steps.
Minimization converged after 15 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 18 steps.
Minimization converged after 18 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 18 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 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 16 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 14 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 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 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 18 steps.
Minimization converged after 18 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 19 steps.
Minimization converged after 19 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]:
[[ 0.00001  0.00001  0.00001  0.      -0.       0.     ]
 [ 0.00001  0.00001  0.00001 -0.       0.      -0.     ]
 [ 0.00001  0.00001  0.00001  0.       0.       0.     ]
 [ 0.      -0.       0.       0.      -0.      -0.     ]
 [-0.       0.       0.      -0.       0.      -0.     ]
 [ 0.      -0.       0.      -0.      -0.       0.     ]]


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.]]


WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.000000 
is too big compared to maximum elastic constant component 0.000007 [ASE units] and requested fractional tolerance 0.010000.


Maximum deviation from material symmetry [ASE units]: 0.000000



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 5 steps.
Minimization converged after 18 steps.
Minimization converged after 18 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 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 18 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 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 14 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 14 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 15 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 12 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 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 11 steps.
Minimization converged after 11 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 9 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 11 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 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 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 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 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 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 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 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 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 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]:
[[-0.00166 -0.01575 -0.01574 -0.      -0.      -0.     ]
 [-0.01575 -0.00165 -0.01575 -0.      -0.       0.     ]
 [-0.01574 -0.01575 -0.0016  -0.      -0.      -0.     ]
 [-0.      -0.      -0.       0.01344  0.       0.     ]
 [-0.      -0.      -0.       0.       0.01344 -0.     ]
 [-0.       0.      -0.       0.      -0.      -0.00263]]


95%% Error estimate [ASE units]:
[[0.00275 0.00861 0.00861 0.      0.      0.     ]
 [0.00861 0.00274 0.00861 0.      0.      0.     ]
 [0.00861 0.00861 0.00269 0.      0.      0.     ]
 [0.      0.      0.      0.00346 0.      0.     ]
 [0.      0.      0.      0.      0.00346 0.     ]
 [0.      0.      0.      0.      0.      0.00274]]


WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.004306 
is too big compared to maximum elastic constant component 0.015751 [ASE units] and requested fractional tolerance 0.010000.


Maximum deviation from material symmetry [ASE units]: 0.016068


WARNING: Maximum deviation from material symmetry according to space group 205 is too big
compared to maximum elastic constant component 0.015751 [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 5 steps.
Minimization converged after 32 steps.
Minimization converged after 22 steps.
Minimization converged after 34 steps.
Minimization converged after 22 steps.
Minimization converged after 34 steps.
Minimization converged after 22 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 37 steps.
Minimization converged after 37 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 22 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 35 steps.
Minimization converged after 36 steps.
Minimization converged after 36 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 34 steps.
Minimization converged after 33 steps.
Minimization converged after 32 steps.
Minimization converged after 33 steps.
Minimization converged after 32 steps.
Minimization converged after 33 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 21 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 22 steps.
Minimization converged after 22 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 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 22 steps.
Minimization converged after 18 steps.
Minimization converged after 18 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 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 18 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 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 14 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 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 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 11 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 12 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 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 11 steps.
Minimization converged after 11 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 9 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 11 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 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 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 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 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.

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]:
[[-0.00004  0.00002  0.00003 -0.      -0.      -0.     ]
 [ 0.00002 -0.00003  0.00002 -0.      -0.      -0.     ]
 [ 0.00003  0.00002 -0.00003  0.      -0.       0.     ]
 [-0.      -0.       0.       0.00012  0.       0.     ]
 [-0.      -0.      -0.       0.       0.00012 -0.     ]
 [-0.      -0.       0.       0.      -0.       0.00012]]


95%% Error estimate [ASE units]:
[[0.00028 0.00051 0.00046 0.      0.      0.     ]
 [0.00051 0.00028 0.00054 0.      0.      0.     ]
 [0.00046 0.00054 0.00028 0.      0.      0.     ]
 [0.      0.      0.      0.00004 0.      0.     ]
 [0.      0.      0.      0.      0.00005 0.     ]
 [0.      0.      0.      0.      0.      0.00005]]


WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.000268 
is too big compared to maximum elastic constant component 0.000122 [ASE units] and requested fractional tolerance 0.010000.


Maximum deviation from material symmetry [ASE units]: 0.000011


WARNING: Maximum deviation from material symmetry according to space group 205 is too big
compared to maximum elastic constant component 0.000122 [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 5 steps.
Minimization converged after 44 steps.
Minimization converged after 45 steps.
Minimization converged after 43 steps.
Minimization converged after 42 steps.
Minimization converged after 44 steps.
Minimization converged after 45 steps.
Minimization converged after 55 steps.
Minimization converged after 56 steps.
Minimization converged after 55 steps.
Minimization converged after 56 steps.
Minimization converged after 66 steps.
Minimization converged after 65 steps.
Minimization converged after 38 steps.
Minimization converged after 39 steps.
Minimization converged after 40 steps.
Minimization converged after 39 steps.
Minimization converged after 40 steps.
Minimization converged after 39 steps.
Minimization converged after 52 steps.
Minimization converged after 52 steps.
Minimization converged after 52 steps.
Minimization converged after 52 steps.
Minimization converged after 52 steps.
Minimization converged after 52 steps.
Minimization converged after 39 steps.
Minimization converged after 37 steps.
Minimization converged after 35 steps.
Minimization converged after 41 steps.
Minimization converged after 40 steps.
Minimization converged after 39 steps.
Minimization converged after 47 steps.
Minimization converged after 49 steps.
Minimization converged after 48 steps.
Minimization converged after 48 steps.
Minimization converged after 47 steps.
Minimization converged after 48 steps.
Minimization converged after 34 steps.
Minimization converged after 38 steps.
Minimization converged after 34 steps.
Minimization converged after 38 steps.
Minimization converged after 34 steps.
Minimization converged after 38 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 42 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 40 steps.
Minimization converged after 42 steps.
Minimization converged after 40 steps.
Minimization converged after 40 steps.
Minimization converged after 42 steps.
Minimization converged after 42 steps.
Minimization converged after 33 steps.
Minimization converged after 21 steps.
Minimization converged after 25 steps.
Minimization converged after 22 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 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 22 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 35 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 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 31 steps.
Minimization converged after 32 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 21 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 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 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 22 steps.
Minimization converged after 18 steps.
Minimization converged after 18 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 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 18 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 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 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 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 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 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.

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]:
[[ 0.00002  0.00001 -0.      -0.       0.       0.     ]
 [ 0.00001  0.00002  0.       0.       0.       0.     ]
 [-0.       0.       0.00002 -0.      -0.       0.     ]
 [-0.       0.      -0.       0.00011  0.       0.     ]
 [ 0.       0.      -0.       0.       0.00011 -0.     ]
 [ 0.       0.       0.       0.      -0.       0.00011]]


95%% Error estimate [ASE units]:
[[0.00001 0.00003 0.00004 0.      0.      0.     ]
 [0.00003 0.00001 0.00002 0.      0.      0.     ]
 [0.00004 0.00002 0.00002 0.      0.      0.     ]
 [0.      0.      0.      0.00001 0.      0.     ]
 [0.      0.      0.      0.      0.00001 0.     ]
 [0.      0.      0.      0.      0.      0.00001]]


WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.000021 
is too big compared to maximum elastic constant component 0.000111 [ASE units] and requested fractional tolerance 0.010000.


Maximum deviation from material symmetry [ASE units]: 0.000012


WARNING: Maximum deviation from material symmetry according to space group 205 is too big
compared to maximum elastic constant component 0.000111 [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 5 steps.
Minimization converged after 49 steps.
Minimization converged after 48 steps.
Minimization converged after 49 steps.
Minimization converged after 46 steps.
Minimization converged after 48 steps.
Minimization converged after 48 steps.
Minimization converged after 100 steps.
Minimization converged after 100 steps.
Minimization converged after 95 steps.
Minimization converged after 99 steps.
Minimization converged after 94 steps.
Minimization converged after 101 steps.
Minimization converged after 49 steps.
Minimization converged after 49 steps.
Minimization converged after 49 steps.
Minimization converged after 48 steps.
Minimization converged after 46 steps.
Minimization converged after 49 steps.
Minimization converged after 91 steps.
Minimization converged after 90 steps.
Minimization converged after 90 steps.
Minimization converged after 95 steps.
Minimization converged after 90 steps.
Minimization converged after 90 steps.
Minimization converged after 50 steps.
Minimization converged after 44 steps.
Minimization converged after 49 steps.
Minimization converged after 44 steps.
Minimization converged after 49 steps.
Minimization converged after 45 steps.
Minimization converged after 86 steps.
Minimization converged after 88 steps.
Minimization converged after 85 steps.
Minimization converged after 85 steps.
Minimization converged after 85 steps.
Minimization converged after 83 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 45 steps.
Minimization converged after 45 steps.
Minimization converged after 77 steps.
Minimization converged after 78 steps.
Minimization converged after 81 steps.
Minimization converged after 78 steps.
Minimization converged after 77 steps.
Minimization converged after 78 steps.
Minimization converged after 46 steps.
Minimization converged after 45 steps.
Minimization converged after 46 steps.
Minimization converged after 45 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 73 steps.
Minimization converged after 74 steps.
Minimization converged after 71 steps.
Minimization converged after 72 steps.
Minimization converged after 71 steps.
Minimization converged after 72 steps.
Minimization converged after 44 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 42 steps.
Minimization converged after 46 steps.
Minimization converged after 42 steps.
Minimization converged after 56 steps.
Minimization converged after 65 steps.
Minimization converged after 55 steps.
Minimization converged after 68 steps.
Minimization converged after 57 steps.
Minimization converged after 56 steps.
Minimization converged after 44 steps.
Minimization converged after 43 steps.
Minimization converged after 42 steps.
Minimization converged after 42 steps.
Minimization converged after 44 steps.
Minimization converged after 42 steps.
Minimization converged after 50 steps.
Minimization converged after 50 steps.
Minimization converged after 50 steps.
Minimization converged after 52 steps.
Minimization converged after 52 steps.
Minimization converged after 49 steps.
Minimization converged after 39 steps.
Minimization converged after 40 steps.
Minimization converged after 35 steps.
Minimization converged after 35 steps.
Minimization converged after 36 steps.
Minimization converged after 37 steps.
Minimization converged after 46 steps.
Minimization converged after 47 steps.
Minimization converged after 48 steps.
Minimization converged after 46 steps.
Minimization converged after 46 steps.
Minimization converged after 48 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 35 steps.
Minimization converged after 34 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 43 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 40 steps.
Minimization converged after 41 steps.
Minimization converged after 42 steps.
Minimization converged after 42 steps.
Minimization converged after 42 steps.
Minimization converged after 43 steps.
Minimization converged after 23 steps.
Minimization converged after 21 steps.
Minimization converged after 23 steps.
Minimization converged after 21 steps.
Minimization converged after 25 steps.
Minimization converged after 21 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 steps.
Minimization converged after 36 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 22 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 34 steps.
Minimization converged after 34 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 31 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 32 steps.
Minimization converged after 31 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 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 22 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]:
[[-0. -0.  0.  0. -0. -0.]
 [-0. -0. -0.  0. -0.  0.]
 [ 0. -0. -0.  0. -0. -0.]
 [ 0.  0.  0. -0. -0.  0.]
 [-0. -0. -0. -0. -0. -0.]
 [-0.  0. -0.  0. -0.  0.]]


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.]]


WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.000001 
is too big compared to maximum elastic constant component 0.000000 [ASE units] and requested fractional tolerance 0.010000.


Maximum deviation from material symmetry [ASE units]: 0.000000


WARNING: Maximum deviation from material symmetry according to space group 205 is too big
compared to maximum elastic constant component 0.000000 [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]:
[[ 0.00001  0.00001  0.00001  0.      -0.       0.     ]
 [ 0.00001  0.00001  0.00001 -0.       0.      -0.     ]
 [ 0.00001  0.00001  0.00001  0.       0.       0.     ]
 [ 0.      -0.       0.       0.      -0.      -0.     ]
 [-0.       0.       0.      -0.       0.      -0.     ]
 [ 0.      -0.       0.      -0.      -0.       0.     ]]


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.]]


WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.000000 
is too big compared to maximum elastic constant component 0.000007 [ASE units] and requested fractional tolerance 0.010000.


Maximum deviation from material symmetry [ASE units]: 0.000000



R E S U L T S

Elastic constants [GPa]:
[[ 0.00107  0.00106  0.00106  0.      -0.       0.     ]
 [ 0.00106  0.00107  0.00107 -0.       0.      -0.     ]
 [ 0.00106  0.00107  0.00107  0.       0.       0.     ]
 [ 0.      -0.       0.       0.      -0.      -0.     ]
 [-0.       0.       0.      -0.       0.      -0.     ]
 [ 0.      -0.       0.      -0.      -0.       0.     ]]

95 %% Error estimate [GPa]:
[[0.00006 0.00014 0.00014 0.      0.      0.     ]
 [0.00014 0.00006 0.00013 0.      0.      0.     ]
 [0.00014 0.00013 0.00006 0.      0.      0.     ]
 [0.      0.      0.      0.00001 0.      0.     ]
 [0.      0.      0.      0.      0.00001 0.     ]
 [0.      0.      0.      0.      0.      0.     ]]

Maximum deviation from material symmetry [GPa] = 0.00001

Bulk modulus [GPa] = 0.00106

Unique elastic constants for space group 205 [GPa]
['c11', 'c12', 'c44']
[0.0010705494537427665, 0.0010616475994898937, 1.3607065338395865e-06]

Nearest matrix of isotropic elastic constants:
Distance to isotropic state [-]  = 5.82166
Isotropic bulk modulus      [GPa] = 0.00107
Isotropic shear modulus     [GPa] = 0.00000