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 15:43:10      -51.584841       15.0858
BFGS:    1 15:43:10      -53.779672       14.6095
BFGS:    2 15:43:10      -55.856534       13.7293
BFGS:    3 15:43:10      -57.758479       12.4149
BFGS:    4 15:43:10      -59.391190       10.4354
BFGS:    5 15:43:10      -60.677377        7.7167
BFGS:    6 15:43:10      -61.495334        4.0602
BFGS:    7 15:43:10      -61.732183        1.2769
BFGS:    8 15:43:10      -61.727216        1.3856
BFGS:    9 15:43:10      -61.738404        0.6153
BFGS:   10 15:43:10      -61.742155        0.3207
BFGS:   11 15:43:10      -61.742919        0.1224
BFGS:   12 15:43:11      -61.743676        0.0608
BFGS:   13 15:43:11      -61.743790        0.0215
BFGS:   14 15:43:11      -61.743793        0.0032
BFGS:   15 15:43:11      -61.743793        0.0000
BFGS:   16 15:43:11      -61.743793        0.0000
BFGS:   17 15:43:11      -61.743793        0.0000
BFGS:   18 15:43:11      -61.743793        0.0000
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