element(s):
['Cu', 'Pt']
AFLOW prototype label:
AB_hR2_166_a_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7273125', '4.7092655']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.  0.5]]
spacegroup =  166
cell =  [[2.7273, 0, 0], [-1.36365, 2.3619110837413, 0], [0, 0, 12.8436]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:04:56     -123.606525       13.1258
BFGS:    1 16:04:56     -125.023941       10.9878
BFGS:    2 16:04:56     -126.083219        8.6203
BFGS:    3 16:04:56     -126.831968        5.8115
BFGS:    4 16:04:56     -127.260713        2.5983
BFGS:    5 16:04:56     -127.349892        0.4772
BFGS:    6 16:04:56     -127.352720        0.0284
BFGS:    7 16:04:56     -127.352730        0.0007
BFGS:    8 16:04:56     -127.352730        0.0002
BFGS:    9 16:04:56     -127.352730        0.0000
BFGS:   10 16:04:56     -127.352730        0.0000
BFGS:   11 16:04:56     -127.352730        0.0000
BFGS:   12 16:04:56     -127.352730        0.0000
Minimization converged after 12 steps.
Maximum force component: 2.230868861421e-30 eV/Angstrom
Maximum stress component: 1.7032128090634115e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 1.71193773e-34 1.23259516e-32]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [1.00000000e+00 1.00000000e+00 5.00000000e-01]
 [6.66666667e-01 3.33333333e-01 8.33333333e-01]
 [3.33333333e-01 6.66666667e-01 1.66666667e-01]]
cellpar =  Cell([[2.6205849827037584, 1.562707250283557e-17, 5.4152552786046734e-33], [-1.3102924913518792, 2.269493167797458, 1.0409823320009122e-32], [2.5245604493840394e-32, 1.4628877327329065e-32, 12.725830130448589]])
forces =  [[-2.62770929e-63 -1.52265860e-63 -1.32457839e-30]
 [-4.42561565e-63 -2.56447765e-63 -2.23086886e-30]
 [-2.62770929e-63 -1.52265860e-63 -1.32457839e-30]
 [-4.30682717e-32 -4.97309565e-32 -1.11543443e-30]
 [-8.61365434e-32 -4.97309565e-32  6.27431867e-31]
 [-5.74243623e-32 -9.94619130e-32 -1.11543443e-30]]
stress =  [-1.09999477e-10 -1.09999477e-10 -1.70321281e-10  6.93855450e-40
  2.40543930e-40 -5.54996626e-26]
energy per atom =  -21.225455013974692
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0