Model name?
MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_002
Stoichiometric species (literal list of strings)?
['Li', 'Si']
Prototype label?
A22B5_cF432_216_abcd6efg4h_2efg
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': 1.8776e-09, 'parameter-names.source-value': ['x5', 'x6', 'x7', 'x8', 'x9', 'x10', 'x11', 'x12', 'x13', 'x14', 'x15', 'x16', 'x17', 'z17', 'x18', 'z18', 'x19', 'z19', 'x20', 'z20'], 'parameter-values.source-value': [0.57815223, 0.33033381, 0.16504364, 0.084144335, 0.9166269, 0.83062759, 0.41657104, 0.66573039, 0.32847852, 0.83129638, 0.92105489, 0.08115189, 0.83445277, 0.00061988303, 0.41300995, 0.25335076, 0.41610512, 0.74895186, 0.33668802, 0.50208135], 'meta.uuid': 'TE_707323747003_002-and-MO_557492625287_002-1710528406-tr'}]
Runtime arguments (literal dictonary)?
{}
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [2.5000000e-01 2.5000000e-01 2.5000000e-01]
 [7.5000000e-01 7.5000000e-01 7.5000000e-01]
 [5.7815223e-01 5.7815223e-01 5.7815223e-01]
 [3.3033381e-01 3.3033381e-01 3.3033381e-01]
 [1.6504364e-01 1.6504364e-01 1.6504364e-01]
 [8.4144335e-02 8.4144335e-02 8.4144335e-02]
 [9.1662690e-01 9.1662690e-01 9.1662690e-01]
 [8.3062759e-01 8.3062759e-01 8.3062759e-01]
 [3.2847852e-01 0.0000000e+00 0.0000000e+00]
 [9.2105489e-01 2.5000000e-01 2.5000000e-01]
 [3.3445277e-01 3.3445277e-01 6.1988303e-04]
 [4.1300995e-01 4.1300995e-01 2.5335076e-01]
 [4.1610512e-01 4.1610512e-01 7.4895186e-01]
 [3.3668802e-01 3.3668802e-01 5.0208135e-01]
 [4.1657104e-01 4.1657104e-01 4.1657104e-01]
 [6.6573039e-01 6.6573039e-01 6.6573039e-01]
 [8.3129638e-01 0.0000000e+00 0.0000000e+00]
 [8.1151890e-02 2.5000000e-01 2.5000000e-01]]
spacegroup =  216
cell =  [[18.776, 0, 0], [0, 18.776, 0], [0, 0, 18.776]]
=========================================

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 0 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 14 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 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 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 13 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 13 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 13 steps.
Minimization converged after 10 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 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 12 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 11 steps.
Minimization converged after 11 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 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 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 9 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 12 steps.
Minimization converged after 11 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 7 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 6 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 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 10 steps.
Minimization converged after 10 steps.
Minimization converged after 8 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 10 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 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 10 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 8 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 10 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 8 steps.
Minimization converged after 6 steps.
Minimization converged after 8 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 6 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 5 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 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 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 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 5 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 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 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 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 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 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 6 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 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 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 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 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 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 5 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 4 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 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]:
[[ 0.33798  0.17472  0.17471  0.00003 -0.00002 -0.     ]
 [ 0.17472  0.33794  0.17474 -0.00002  0.00003 -0.00001]
 [ 0.17471  0.17474  0.32257  0.00001  0.00002 -0.00003]
 [ 0.00003 -0.00002  0.00001  0.18484 -0.      -0.     ]
 [-0.00002  0.00003  0.00002 -0.       0.18485  0.     ]
 [-0.      -0.00001 -0.00003 -0.       0.       0.18484]]


95%% Error estimate [ASE units]:
[[0.00022 0.00321 0.00324 0.00018 0.00009 0.00006]
 [0.00321 0.00037 0.0032  0.00006 0.00015 0.00001]
 [0.00324 0.0032  0.00056 0.00011 0.00003 0.00002]
 [0.00018 0.00006 0.00011 0.00006 0.      0.00001]
 [0.00009 0.00015 0.00003 0.      0.00007 0.00001]
 [0.00006 0.00001 0.00002 0.00001 0.00001 0.00006]]


Maximum deviation from material symmetry [ASE units]: 0.015407


WARNING: Maximum deviation from material symmetry according to space group 216 is too big
compared to maximum elastic constant component 0.337982 [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 0 steps.
Minimization converged after 24 steps.
Minimization converged after 22 steps.
Minimization converged after 25 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 25 steps.
Minimization converged after 26 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 22 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 21 steps.
Minimization converged after 22 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 21 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 26 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 22 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 21 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 22 steps.
Minimization converged after 24 steps.
Minimization converged after 24 steps.
Minimization converged after 25 steps.
Minimization converged after 21 steps.
Minimization converged after 24 steps.
Minimization converged after 20 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 21 steps.
Minimization converged after 22 steps.
Minimization converged after 23 steps.
Minimization converged after 23 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 23 steps.
Minimization converged after 24 steps.
Minimization converged after 20 steps.
Minimization converged after 22 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 20 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 22 steps.
Minimization converged after 22 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 20 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 21 steps.
Minimization converged after 20 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 20 steps.
Minimization converged after 19 steps.
Minimization converged after 17 steps.
Minimization converged after 17 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 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 21 steps.
Minimization converged after 13 steps.
Minimization converged after 13 steps.
Minimization converged after 21 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 20 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 15 steps.
Minimization converged after 19 steps.
Minimization converged after 15 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 17 steps.
Minimization converged after 18 steps.
Minimization converged after 16 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 18 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 17 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 19 steps.
Minimization converged after 18 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 18 steps.
Minimization converged after 18 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 18 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 18 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 18 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 19 steps.
Minimization converged after 16 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 18 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 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 18 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 17 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 17 steps.
Minimization converged after 15 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 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 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 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 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 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 10 steps.
Minimization converged after 8 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 15 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 16 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 9 steps.
Minimization converged after 9 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 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 13 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 14 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 14 steps.
Minimization converged after 17 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 16 steps.
Minimization converged after 15 steps.
Minimization converged after 15 steps.
Minimization converged after 12 steps.
Minimization converged after 13 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 10 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 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 10 steps.
Minimization converged after 10 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 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 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 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 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 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 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 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 6 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 11 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 8 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 11 steps.
Minimization converged after 12 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 10 steps.
Minimization converged after 10 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 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 7 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 9 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 9 steps.
Minimization converged after 8 steps.
Minimization converged after 9 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 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 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 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 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 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 8 steps.
Minimization converged after 9 steps.
Minimization converged after 9 steps.
Minimization converged after 7 steps.
Minimization converged after 8 steps.
Minimization converged after 8 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 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 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 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 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 7 steps.
Minimization converged after 7 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 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 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 4 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 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 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 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 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 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 6 steps.
Minimization converged after 6 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 6 steps.
Minimization converged after 4 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 5 steps.
Minimization converged after 6 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 3 steps.
Minimization converged after 6 steps.
Minimization converged after 6 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 4 steps.
Minimization converged after 4 steps.
Minimization converged after 0 steps.
Minimization converged after 1 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 1 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 2 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 0 steps.
Minimization converged after 0 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 steps.
Minimization converged after 1 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]:
[[ 0.32256  0.17469  0.17469  0.       0.      -0.     ]
 [ 0.17469  0.32256  0.17469 -0.      -0.      -0.     ]
 [ 0.17469  0.17469  0.32256  0.      -0.      -0.     ]
 [ 0.      -0.       0.       0.18477 -0.      -0.     ]
 [ 0.      -0.      -0.      -0.       0.18477 -0.     ]
 [-0.      -0.      -0.      -0.      -0.       0.18477]]


95%% Error estimate [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.      0.      0.      0.     ]
 [0.      0.      0.      0.      0.      0.     ]
 [0.      0.      0.      0.      0.      0.     ]
 [0.      0.      0.      0.      0.      0.     ]]


Maximum deviation from material symmetry [ASE units]: 0.000005



R E S U L T S

Elastic constants [GPa]:
[[51.67984 27.98896 27.98906  0.00002  0.      -0.     ]
 [27.98896 51.67988 27.98906 -0.00001 -0.      -0.     ]
 [27.98906 27.98906 51.68056  0.00001 -0.      -0.00002]
 [ 0.00002 -0.00001  0.00001 29.6027  -0.      -0.00001]
 [ 0.      -0.      -0.      -0.      29.60269 -0.00002]
 [-0.      -0.      -0.00002 -0.00001 -0.00002 29.60269]]

95 %% Error estimate [GPa]:
[[0.00214 0.00085 0.00119 0.00001 0.00028 0.00002]
 [0.00085 0.00156 0.00181 0.00009 0.00057 0.0001 ]
 [0.00119 0.00181 0.00061 0.00037 0.00031 0.00034]
 [0.00001 0.00009 0.00037 0.00016 0.00022 0.00017]
 [0.00028 0.00057 0.00031 0.00022 0.00022 0.00008]
 [0.00002 0.0001  0.00034 0.00017 0.00008 0.00029]]

Maximum deviation from material symmetry [GPa] = 0.00072

Bulk modulus [GPa] = 35.88605

Unique elastic constants for space group 216 [GPa]
['c11', 'c12', 'c44']
[51.67984240506285, 27.988961452075994, 29.602698180484357]

Nearest matrix of isotropic elastic constants:
Distance to isotropic state [-]  = 1.00333
Isotropic bulk modulus      [GPa] = 35.88605
Isotropic shear modulus     [GPa] = 20.52204