Model name?
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
Stoichiometric species (literal list of strings)?
['C', 'Fe']
Prototype label?
A2B5_mC28_15_f_e2f
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': 1.15528e-09, 'parameter-names.source-value': ['b/a', 'c/a', 'beta', 'y1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4'], 'parameter-values.source-value': [0.41136348, 0.41946541, 86.5209, 0.49695262, 0.38925303, 0.15999739, 0.0046483867, 0.39754081, 0.44864859, 0.46665004, 0.28388023, 0.91574051, 0.21222295], 'meta.uuid': 'TE_712723756130_002-and-MO_427873955970_002-1711124835-tr'}, {'instance-id': 4, 'a.si-value': 1.22618e-09, 'parameter-names.source-value': ['b/a', 'c/a', 'beta', 'y1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4'], 'parameter-values.source-value': [0.37211502, 1.0002284, 157.5735, 0.21455762, 0.72727643, 0.50282834, 0.064175912, 0.15523287, 0.57871421, 0.50273115, 0.88901056, 0.24068123, 0.34012456], 'meta.uuid': 'TE_712723756130_002-and-MO_427873955970_002-1711124835-tr'}]
Runtime arguments (literal dictonary)?
{}
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe', 'Fe', 'Fe']
representative atom coordinates =  [[0.61074697 0.15999739 0.99535161]
 [0.         0.50304738 0.25      ]
 [0.60245919 0.44864859 0.53334996]
 [0.71611977 0.91574051 0.78777705]]
spacegroup =  15
cell =  [[11.5528, 0, 0], [0, 4.7524, 0], [0.29407680614716, 0, 4.8370688264781]]
=========================================

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 6 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 11 steps.
Minimization converged after 10 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 18 steps.
Minimization converged after 20 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 18 steps.
Minimization converged after 20 steps.
Minimization converged after 19 steps.
Minimization converged after 21 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 21 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 22 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 16 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 16 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 19 steps.
Minimization converged after 20 steps.
Minimization converged after 12 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 18 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 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 8 steps.
Minimization converged after 11 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 11 steps.
Minimization converged after 14 steps.
Minimization converged after 20 steps.
Minimization converged after 17 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 17 steps.
Minimization converged after 20 steps.
Minimization converged after 20 steps.
Minimization converged after 17 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 19 steps.
Minimization converged after 21 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 14 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 15 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 12 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 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 10 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 10 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 11 steps.
Minimization converged after 20 steps.
Minimization converged after 18 steps.
Minimization converged after 19 steps.
Minimization converged after 20 steps.
Minimization converged after 10 steps.
Minimization converged after 6 steps.
Minimization converged after 8 steps.
Minimization converged after 11 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 14 steps.
Minimization converged after 11 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 8 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 7 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 7 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 12 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 12 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 15 steps.
Minimization converged after 16 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 15 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 5 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 6 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 8 steps.
Minimization converged after 7 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 10 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 11 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 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 10 steps.
Minimization converged after 12 steps.
Minimization converged after 12 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 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 5 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 7 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 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 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 6 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 7 steps.
Minimization converged after 7 steps.
Minimization converged after 10 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 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 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 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 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 9 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 5 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 4 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 11 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 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 5 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 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 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 8 steps.
Minimization converged after 6 steps.
Minimization converged after 4 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 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 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 4 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 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 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 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 9 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 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 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 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 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 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 8 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 8 steps.
Minimization converged after 8 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 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 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 5 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 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 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 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 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 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 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 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 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 5 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 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 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 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 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 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 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 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 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 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 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 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.
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 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]:
[[ 4.27796 -0.6214   1.06718  0.      -1.23995  0.     ]
 [-0.6214   2.98821 -0.02213  0.       1.08775  0.     ]
 [ 1.06718 -0.02213  2.06327 -0.      -0.14975 -0.     ]
 [ 0.       0.      -0.       0.60258  0.      -0.0887 ]
 [-1.23995  1.08775 -0.14975  0.       2.12252 -0.00001]
 [ 0.       0.      -0.      -0.0887  -0.00001  1.0755 ]]


95%% Error estimate [ASE units]:
[[0.00007 0.00006 0.00067 0.00002 0.00008 0.00001]
 [0.00006 0.00028 0.0009  0.00002 0.00014 0.     ]
 [0.00067 0.0009  0.00035 0.00001 0.00016 0.00001]
 [0.00002 0.00002 0.00001 0.00001 0.      0.00015]
 [0.00008 0.00014 0.00016 0.      0.00005 0.00001]
 [0.00001 0.      0.00001 0.00015 0.00001 0.00013]]


Maximum deviation from material symmetry [ASE units]: 0.000006



R E S U L T S

Elastic constants [GPa]:
[[ 685.40477  -99.55911  170.98096    0.00001 -198.66144    0.00006]
 [ -99.55911  478.76362   -3.54547    0.00007  174.27641    0.00074]
 [ 170.98096   -3.54547  330.57162   -0.00038  -23.99337   -0.00012]
 [   0.00001    0.00007   -0.00038   96.5444     0.00021  -14.21104]
 [-198.66144  174.27641  -23.99337    0.00021  340.06558   -0.00096]
 [   0.00006    0.00074   -0.00012  -14.21104   -0.00096  172.31486]]

95 %% Error estimate [GPa]:
[[0.01096 0.00882 0.10738 0.00262 0.01287 0.00177]
 [0.00882 0.04558 0.14344 0.00247 0.02231 0.00047]
 [0.10738 0.14344 0.05611 0.0015  0.02513 0.00181]
 [0.00262 0.00247 0.0015  0.00198 0.00029 0.02375]
 [0.01287 0.02231 0.02513 0.00029 0.00827 0.00176]
 [0.00177 0.00047 0.00181 0.02375 0.00176 0.02123]]

Maximum deviation from material symmetry [GPa] = 0.00096

Bulk modulus [GPa] = 165.62136

Unique elastic constants for space group 15 [GPa]
['c11', 'c12', 'c13', 'c15', 'c22', 'c23', 'c25', 'c33', 'c35', 'c44', 'c46', 'c55', 'c66']
[685.4047654681912, -99.55911237851915, 170.98095650288056, -198.6614406441166, 478.76361693768814, -3.5454674417608825, 174.27640939077165, 330.57161831544505, -23.99336943969721, 96.54440159371124, -14.211039608545684, 340.0655802358233, 172.3148553677769]

Nearest matrix of isotropic elastic constants:
Distance to isotropic state [-]  = 1.36688
Isotropic bulk modulus      [GPa] = 173.63616
Isotropic shear modulus     [GPa] = 176.18268
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe', 'Fe', 'Fe']
representative atom coordinates =  [[0.72727643 0.50282834 0.06417591]
 [0.         0.21455762 0.25      ]
 [0.15523287 0.57871421 0.50273115]
 [0.88901056 0.24068123 0.34012456]]
spacegroup =  15
cell =  [[12.2618, 0, 0], [0, 4.5628, 0], [-11.337024438803, 0, 4.6789197507519]]
=========================================

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 4 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 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 16 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 14 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 13 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 13 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 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 6 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 15 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 8 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 13 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 8 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 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 13 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 14 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 5 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 6 steps.
Minimization converged after 7 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 8 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 8 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 8 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 8 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 12 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 12 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 4 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 4 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 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 11 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 11 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 3 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 4 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 2 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 2 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 5 steps.
Minimization converged after 5 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]:
[[ 2.08107  0.64091  0.95909  0.      -0.32474 -0.     ]
 [ 0.64091  2.47619  0.36825 -0.       0.02554 -0.     ]
 [ 0.95909  0.36825  2.21934  0.      -0.27961  0.     ]
 [ 0.      -0.       0.       0.47694 -0.      -0.08642]
 [-0.32474  0.02554 -0.27961 -0.       0.61027  0.     ]
 [-0.      -0.       0.      -0.08642  0.       0.38505]]


95%% Error estimate [ASE units]:
[[0.00092 0.00032 0.00053 0.      0.00032 0.00003]
 [0.00032 0.00058 0.00035 0.      0.0002  0.00001]
 [0.00053 0.00035 0.0004  0.00001 0.00025 0.00001]
 [0.      0.      0.00001 0.00006 0.      0.00024]
 [0.00032 0.0002  0.00025 0.      0.00006 0.00001]
 [0.00003 0.00001 0.00001 0.00024 0.00001 0.00008]]


Maximum deviation from material symmetry [ASE units]: 0.000000



R E S U L T S

Elastic constants [GPa]:
[[333.4244  102.68515 153.66304   0.      -52.02886  -0.00006]
 [102.68515 396.72936  59.00058  -0.00001   4.09264  -0.00004]
 [153.66304  59.00058 355.57742   0.00007 -44.79879   0.00004]
 [  0.       -0.00001   0.00007  76.41383  -0.00001 -13.84564]
 [-52.02886   4.09264 -44.79879  -0.00001  97.77575   0.00001]
 [ -0.00006  -0.00004   0.00004 -13.84564   0.00001  61.69157]]

95 %% Error estimate [GPa]:
[[0.14733 0.05193 0.08507 0.00042 0.05066 0.00541]
 [0.05193 0.09306 0.05598 0.00037 0.03274 0.00082]
 [0.08507 0.05598 0.06369 0.00175 0.0408  0.00148]
 [0.00042 0.00037 0.00175 0.00888 0.00027 0.03826]
 [0.05066 0.03274 0.0408  0.00027 0.00996 0.001  ]
 [0.00541 0.00082 0.00148 0.03826 0.001   0.01222]]

Maximum deviation from material symmetry [GPa] = 0.00007

Bulk modulus [GPa] = 180.69827

Unique elastic constants for space group 15 [GPa]
['c11', 'c12', 'c13', 'c15', 'c22', 'c23', 'c25', 'c33', 'c35', 'c44', 'c46', 'c55', 'c66']
[333.424397664414, 102.685152903341, 153.66304105046817, -52.02886273805587, 396.72936321865853, 59.00058055263267, 4.092639152679455, 355.5774243802337, -44.798786501828964, 76.41383011615548, -13.845644838038377, 97.7757548399004, 61.69157069570312]

Nearest matrix of isotropic elastic constants:
Distance to isotropic state [-]  = 0.91954
Isotropic bulk modulus      [GPa] = 187.41508
Isotropic shear modulus     [GPa] = 90.44277