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 15:04:10      -75.859255         5.569700
BFGS:    1 15:04:10      -76.332619         0.506864
BFGS:    2 15:04:10      -76.335787         0.087635
BFGS:    3 15:04:10      -76.335882         0.000999
BFGS:    4 15:04:10      -76.335883         0.000002
BFGS:    5 15:04:10      -76.335883         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.4596470947965538e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Pt']
basis =  [[5.60547203e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.98132169e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.98132169e-17]
 [3.63027240e-65 5.98132169e-17 5.98132169e-17]]
cellpar =  Cell([[3.6619276426857814, 3.371859661451762e-33, -3.3364068543546358e-34], [1.6840862943952983e-33, 3.6619276426857814, 7.233311790817415e-20], [-1.1788132452743798e-32, 7.233311790817313e-20, 3.6619276426857814]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.45964709e-12 -3.45964709e-12 -3.45964709e-12  6.91700786e-28
 -2.45114879e-33  3.35779698e-49]
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