element(s):
['Cu', 'Zr']
AFLOW prototype label:
AB3_tP4_123_a_ce
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:
['4.6201', '0.81967923']
model name:
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr', 'Zr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[4.6201, 0, 0], [0, 4.6201, 0], [0, 0, 3.787]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:18:56      -22.429667        0.0158
BFGS:    1 09:18:56      -22.429675        0.0148
BFGS:    2 09:18:56      -22.429717        0.0040
BFGS:    3 09:18:56      -22.429717        0.0041
BFGS:    4 09:18:56      -22.429740        0.0079
BFGS:    5 09:18:56      -22.429842        0.0158
BFGS:    6 09:18:56      -22.430249        0.0322
BFGS:    7 09:18:56      -22.431875        0.0635
BFGS:    8 09:18:56      -22.438193        0.1290
BFGS:    9 09:18:56      -22.448366        0.1862
BFGS:   10 09:18:56      -22.461752        0.2124
BFGS:   11 09:18:56      -22.475747        0.1753
BFGS:   12 09:18:56      -22.486346        0.0754
BFGS:   13 09:18:56      -22.487462        0.0639
BFGS:   14 09:18:56      -22.488047        0.0258
BFGS:   15 09:18:56      -22.487976        0.0299
BFGS:   16 09:18:56      -22.488095        0.0003
BFGS:   17 09:18:56      -22.488095        0.0000
BFGS:   18 09:18:56      -22.488095        0.0000
BFGS:   19 09:18:56      -22.488095        0.0000
Minimization converged after 19 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.485024068280788e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 1.32837021e-33]
 [9.00907203e-51 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.22069857e-34 5.00000000e-01]]
cellpar =  Cell([[4.783881268366469, -4.6207678134290844e-36, 4.239584398185966e-32], [5.893154254065207e-36, 4.783881268366469, 2.7748259888208204e-17], [2.5912491778135745e-32, 2.1791940256388876e-17, 3.4796262641302484]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.48502407e-11  7.48502407e-11  5.50240044e-11 -1.37135278e-27
  1.85117499e-34  9.34567553e-51]
energy per atom =  -5.622023644435921
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0