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 16:47:54       -3.085736         0.053644
BFGS:    1 16:47:54       -3.085804         0.053310
BFGS:    2 16:47:54       -3.089059         0.031678
BFGS:    3 16:47:54       -3.090128         0.019356
BFGS:    4 16:47:54       -3.090145         0.020239
BFGS:    5 16:47:54       -3.090295         0.025568
BFGS:    6 16:47:54       -3.090593         0.033343
BFGS:    7 16:47:54       -3.091287         0.046103
BFGS:    8 16:47:54       -3.092607         0.055143
BFGS:    9 16:47:54       -3.094911         0.086480
BFGS:   10 16:47:54       -3.098276         0.102028
BFGS:   11 16:47:54       -3.101616         0.069368
BFGS:   12 16:47:55       -3.102174         0.048506
BFGS:   13 16:47:55       -3.102325         0.044068
BFGS:   14 16:47:55       -3.103105         0.051378
BFGS:   15 16:47:55       -3.104384         0.055572
BFGS:   16 16:47:55       -3.106526         0.055253
BFGS:   17 16:47:55       -3.108142         0.038565
BFGS:   18 16:47:55       -3.108784         0.018221
BFGS:   19 16:47:55       -3.108860         0.018393
BFGS:   20 16:47:55       -3.108871         0.017942
BFGS:   21 16:47:55       -3.108902         0.016511
BFGS:   22 16:47:55       -3.108967         0.013962
BFGS:   23 16:47:55       -3.109107         0.011975
BFGS:   24 16:47:55       -3.109307         0.014234
BFGS:   25 16:47:55       -3.109474         0.009602
BFGS:   26 16:47:55       -3.109531         0.002747
BFGS:   27 16:47:55       -3.109536         0.000332
BFGS:   28 16:47:55       -3.109536         0.000029
BFGS:   29 16:47:55       -3.109536         0.000003
BFGS:   30 16:47:55       -3.109536         0.000000
BFGS:   31 16:47:55       -3.109536         0.000000
BFGS:   32 16:47:55       -3.109536         0.000000
Minimization converged after 32 steps.
Maximum force component: 1.2067054051014741e-11 eV/Angstrom
Maximum stress component: 2.083680936298168e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[0.00000000e+00 6.35454457e-01 2.50000000e-01]
 [2.96620387e-35 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, 9.89236220807065e-37, 0.0], [-5.646068403139875e-36, 9.742991728652086, 0.0], [0.0, 0.0, 8.66013916367459]])
forces =  [[ 6.99286364e-48 -1.20670541e-11 -1.33430571e-32]
 [ 2.44165599e-34  1.20670541e-11  1.33430571e-32]
 [ 6.99286364e-48 -1.20670541e-11 -2.66861141e-32]
 [ 2.74686299e-34  1.20670541e-11  2.66861141e-32]]
stress =  [-2.08368094e-12 -9.61828993e-14  3.41604576e-13  0.00000000e+00
  0.00000000e+00  4.87252621e-37]
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