element(s):
['Cu', 'Pt']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7123']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Pt']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7123, 0, 0], [0, 3.7123, 0], [0, 0, 3.7123]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:28:57      -75.859255         5.569700
BFGS:    1 09:28:57      -76.332619         0.506864
BFGS:    2 09:28:57      -76.335787         0.087635
BFGS:    3 09:28:57      -76.335882         0.000999
BFGS:    4 09:28:57      -76.335883         0.000002
BFGS:    5 09:28:57      -76.335883         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.45956570247153e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Pt']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.98132169e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.98132169e-17]
 [0.00000000e+00 5.98132169e-17 5.98132169e-17]]
cellpar =  Cell([[3.6619276426857814, 4.790805525769684e-33, -5.9224842833327905e-34], [3.724503559427597e-34, 3.6619276426857814, 7.323933591790451e-21], [5.652727211703158e-34, 7.323933591790497e-21, 3.6619276426857814]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.45956570e-12 -3.45956570e-12 -3.45956570e-12  7.49649357e-30
  2.45114879e-33  3.33211447e-53]
energy per atom =  -19.083970626988993
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0