element(s):
['Au', 'Cu']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7854']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Cu']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.7854, 0, 0], [0, 3.7854, 0], [0, 0, 3.7854]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 08:58:21      -14.291110        0.7441
BFGS:    1 08:58:21      -14.313710        0.6727
BFGS:    2 08:58:21      -14.387428        0.3021
BFGS:    3 08:58:21      -14.404186        0.0330
BFGS:    4 08:58:21      -14.404377        0.0014
BFGS:    5 08:58:21      -14.404377        0.0000
BFGS:    6 08:58:21      -14.404377        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.213608916453117e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.60747451e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.60747451e-35]]
cellpar =  Cell([[3.6930944809940716, -3.022965610181327e-33, 4.1487412354960225e-33], [7.630740209083718e-33, 3.6930944809940716, 9.05280118610903e-19], [-2.4162946985781325e-34, 9.052801186109067e-19, 3.6930944809940716]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.21360892e-11 -8.21360892e-11 -8.21360892e-11 -8.59448411e-27
 -3.01243974e-34  5.30197830e-50]
energy per atom =  -3.601094233359912
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0