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 16:56:56      -22.429667         0.015775
BFGS:    1 16:56:56      -22.429675         0.014784
BFGS:    2 16:56:56      -22.429717         0.003963
BFGS:    3 16:56:56      -22.429717         0.004103
BFGS:    4 16:56:57      -22.429740         0.007864
BFGS:    5 16:56:57      -22.429842         0.015799
BFGS:    6 16:56:57      -22.430249         0.032240
BFGS:    7 16:56:57      -22.431875         0.063455
BFGS:    8 16:56:57      -22.438193         0.129007
BFGS:    9 16:56:57      -22.448366         0.186197
BFGS:   10 16:56:57      -22.461752         0.212408
BFGS:   11 16:56:57      -22.475747         0.175295
BFGS:   12 16:56:57      -22.486346         0.075420
BFGS:   13 16:56:57      -22.487462         0.063853
BFGS:   14 16:56:57      -22.488047         0.025834
BFGS:   15 16:56:57      -22.487976         0.029866
BFGS:   16 16:56:57      -22.488095         0.000284
BFGS:   17 16:56:57      -22.488095         0.000035
BFGS:   18 16:56:57      -22.488095         0.000000
BFGS:   19 16:56:57      -22.488095         0.000000
Minimization converged after 19 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.485071818725505e-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 0.00000000e+00]
 [8.12213238e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.78388126836647, -6.791260542044641e-36, 1.858132388825024e-33], [4.758021414989645e-36, 4.7838812683664695, -5.479971149634253e-17], [1.1615947269944533e-32, -4.19174539285294e-17, 3.479626264130248]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [7.48507182e-11 7.48507182e-11 5.50242330e-11 5.17606939e-27
 1.15698436e-35 3.27072655e-51]
energy per atom =  -5.622023644435922
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0