element(s):
['Cs']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4396', '1.7485477', '1.6329142', '0.66118538']
model name:
EAM_Dynamo_NicholAckland_2016v2_Cs__MO_144828415103_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs']
representative atom coordinates =  [[0.         0.66118538 0.25      ]]
spacegroup =  63
cell =  [[5.4396, 0, 0], [0, 9.5114, 0], [0, 0, 8.8824]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:41:44       -3.085736         0.053644
BFGS:    1 09:41:44       -3.085804         0.053310
BFGS:    2 09:41:44       -3.089059         0.031678
BFGS:    3 09:41:44       -3.090128         0.019356
BFGS:    4 09:41:44       -3.090145         0.020239
BFGS:    5 09:41:44       -3.090295         0.025568
BFGS:    6 09:41:44       -3.090593         0.033343
BFGS:    7 09:41:44       -3.091287         0.046103
BFGS:    8 09:41:44       -3.092607         0.055143
BFGS:    9 09:41:44       -3.094911         0.086480
BFGS:   10 09:41:44       -3.098276         0.102028
BFGS:   11 09:41:44       -3.101616         0.069368
BFGS:   12 09:41:44       -3.102174         0.048506
BFGS:   13 09:41:44       -3.102325         0.044068
BFGS:   14 09:41:44       -3.103105         0.051378
BFGS:   15 09:41:44       -3.104384         0.055572
BFGS:   16 09:41:45       -3.106526         0.055253
BFGS:   17 09:41:45       -3.108142         0.038565
BFGS:   18 09:41:45       -3.108784         0.018221
BFGS:   19 09:41:45       -3.108860         0.018393
BFGS:   20 09:41:45       -3.108871         0.017942
BFGS:   21 09:41:45       -3.108902         0.016511
BFGS:   22 09:41:45       -3.108967         0.013962
BFGS:   23 09:41:45       -3.109107         0.011975
BFGS:   24 09:41:45       -3.109307         0.014234
BFGS:   25 09:41:45       -3.109474         0.009602
BFGS:   26 09:41:45       -3.109531         0.002747
BFGS:   27 09:41:45       -3.109536         0.000332
BFGS:   28 09:41:45       -3.109536         0.000029
BFGS:   29 09:41:45       -3.109536         0.000003
BFGS:   30 09:41:45       -3.109536         0.000000
BFGS:   31 09:41:45       -3.109536         0.000000
BFGS:   32 09:41:45       -3.109536         0.000000
Minimization converged after 32 steps.
Maximum force component: 1.2067077432908073e-11 eV/Angstrom
Maximum stress component: 2.083680222752558e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[2.35098870e-37 6.35454457e-01 2.50000000e-01]
 [0.00000000e+00 3.64545543e-01 7.50000000e-01]
 [5.00000000e-01 1.35454457e-01 2.50000000e-01]
 [5.00000000e-01 8.64545543e-01 7.50000000e-01]]
cellpar =  Cell([[5.071121087742669, -1.7825371928090416e-37, 0.0], [9.430386686109808e-37, 9.742991728652086, 0.0], [0.0, 0.0, 8.66013916367459]])
forces =  [[-9.76662395e-34 -1.20670774e-11  6.67152854e-33]
 [ 9.76662395e-34  1.20670774e-11 -6.67152854e-33]
 [-9.76662395e-34 -1.20670774e-11 -6.67152854e-33]
 [ 4.88331198e-34  1.20670774e-11  6.67152854e-33]]
stress =  [-2.08368022e-12 -9.61826074e-14  3.41608598e-13  0.00000000e+00
  0.00000000e+00  1.67317979e-49]
energy per atom =  -0.7773839451923238
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0