element(s):
['Cu', 'H']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8556', '1.5904188', '0.99605448', '0.37894552']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'H']
representative atom coordinates =  [[0.33333333 0.66666667 0.99605448]
 [0.33333333 0.66666667 0.37894552]]
spacegroup =  186
cell =  [[2.8556, 0, 0], [-1.4278, 2.4730221430468, 0], [0, 0, 4.5416]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:45:59      -51.584841        15.085820
BFGS:    1 12:45:59      -53.779672        14.609531
BFGS:    2 12:46:00      -55.856534        13.729309
BFGS:    3 12:46:00      -57.758479        12.414887
BFGS:    4 12:46:00      -59.391190        10.435447
BFGS:    5 12:46:01      -60.677377         7.716730
BFGS:    6 12:46:01      -61.495334         4.060165
BFGS:    7 12:46:01      -61.732183         1.276851
BFGS:    8 12:46:02      -61.727216         1.385632
BFGS:    9 12:46:02      -61.738404         0.615273
BFGS:   10 12:46:02      -61.742155         0.320708
BFGS:   11 12:46:03      -61.742919         0.122386
BFGS:   12 12:46:03      -61.743676         0.060808
BFGS:   13 12:46:03      -61.743790         0.021521
BFGS:   14 12:46:04      -61.743793         0.003155
BFGS:   15 12:46:04      -61.743793         0.000017
BFGS:   16 12:46:04      -61.743793         0.000001
BFGS:   17 12:46:05      -61.743793         0.000000
BFGS:   18 12:46:05      -61.743793         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.5367751941218152e-09 eV/Angstrom
Maximum stress component: 3.1350810409751873e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'H', 'H']
basis =  [[0.33333333 0.66666667 0.99885435]
 [0.66666666 0.33333334 0.49885435]
 [0.33333333 0.66666667 0.37614565]
 [0.66666666 0.33333334 0.87614565]]
cellpar =  Cell([[2.603591938497085, -1.0113216974505318e-17, 1.2263534808080618e-35], [-1.3017959692485426, 2.254776759826849, -1.2736547595906927e-35], [4.108958462923315e-36, 2.5249154038323507e-35, 4.220550986936958]])
forces =  [[-2.46970216e-45 -1.51760819e-44 -2.53677519e-09]
 [-2.46970216e-45 -1.51760819e-44 -2.53677519e-09]
 [-6.84623964e-31  1.18580349e-30  2.53677475e-09]
 [ 1.36924793e-30  1.51707607e-44  2.53677475e-09]]
stress =  [ 3.13508104e-10  3.13508104e-10  1.37043890e-10 -1.72697677e-33
  2.99121150e-33 -5.66682286e-26]
energy per atom =  -15.435948323805649
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0