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 11:56:59      -51.584841        15.085820
BFGS:    1 11:56:59      -53.779672        14.609531
BFGS:    2 11:56:59      -55.856534        13.729309
BFGS:    3 11:56:59      -57.758479        12.414887
BFGS:    4 11:56:59      -59.391190        10.435447
BFGS:    5 11:56:59      -60.677377         7.716730
BFGS:    6 11:56:59      -61.495334         4.060165
BFGS:    7 11:56:59      -61.732183         1.276851
BFGS:    8 11:56:59      -61.727216         1.385632
BFGS:    9 11:56:59      -61.738404         0.615273
BFGS:   10 11:56:59      -61.742155         0.320708
BFGS:   11 11:57:00      -61.742919         0.122386
BFGS:   12 11:57:00      -61.743676         0.060808
BFGS:   13 11:57:00      -61.743790         0.021521
BFGS:   14 11:57:00      -61.743793         0.003155
BFGS:   15 11:57:00      -61.743793         0.000017
BFGS:   16 11:57:00      -61.743793         0.000001
BFGS:   17 11:57:00      -61.743793         0.000000
BFGS:   18 11:57:00      -61.743793         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.5367814425280135e-09 eV/Angstrom
Maximum stress component: 3.1347483332412084e-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([[2.6035919384970843, -4.302924168968356e-18, 1.6243795838672297e-35], [-1.3017959692485421, 2.254776759826847, -3.3913028523748185e-35], [-1.6350922283487578e-35, 4.311142067983061e-35, 4.220550986936957]])
forces =  [[-5.13467973e-31  8.89352618e-31 -2.53678144e-09]
 [ 2.90965185e-30 -2.96450873e-31 -2.53678144e-09]
 [-2.99522984e-30  4.44676309e-31  2.53678083e-09]
 [ 5.13467973e-31 -8.89352618e-31  2.53678083e-09]]
stress =  [ 3.13474833e-10  3.13474833e-10  1.37012649e-10 -2.15872096e-34
 -3.73901438e-34 -1.10889821e-25]
energy per atom =  -15.435948323805635
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0