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 16:36:51       -3.085736        0.0536
BFGS:    1 16:36:51       -3.085804        0.0533
BFGS:    2 16:36:51       -3.089059        0.0317
BFGS:    3 16:36:51       -3.090128        0.0194
BFGS:    4 16:36:51       -3.090145        0.0202
BFGS:    5 16:36:51       -3.090295        0.0256
BFGS:    6 16:36:51       -3.090593        0.0333
BFGS:    7 16:36:51       -3.091287        0.0461
BFGS:    8 16:36:51       -3.092607        0.0551
BFGS:    9 16:36:51       -3.094911        0.0865
BFGS:   10 16:36:51       -3.098276        0.1020
BFGS:   11 16:36:51       -3.101616        0.0694
BFGS:   12 16:36:51       -3.102174        0.0485
BFGS:   13 16:36:51       -3.102325        0.0441
BFGS:   14 16:36:51       -3.103105        0.0514
BFGS:   15 16:36:51       -3.104384        0.0556
BFGS:   16 16:36:51       -3.106526        0.0553
BFGS:   17 16:36:51       -3.108142        0.0386
BFGS:   18 16:36:51       -3.108784        0.0182
BFGS:   19 16:36:51       -3.108860        0.0184
BFGS:   20 16:36:51       -3.108871        0.0179
BFGS:   21 16:36:51       -3.108902        0.0165
BFGS:   22 16:36:51       -3.108967        0.0140
BFGS:   23 16:36:51       -3.109107        0.0120
BFGS:   24 16:36:51       -3.109307        0.0142
BFGS:   25 16:36:51       -3.109474        0.0096
BFGS:   26 16:36:51       -3.109531        0.0027
BFGS:   27 16:36:51       -3.109536        0.0003
BFGS:   28 16:36:51       -3.109536        0.0000
BFGS:   29 16:36:51       -3.109536        0.0000
BFGS:   30 16:36:51       -3.109536        0.0000
BFGS:   31 16:36:51       -3.109536        0.0000
BFGS:   32 16:36:51       -3.109536        0.0000
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