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_MendelevSunZhang_2019_CuZr__MO_609260676108_000
==== 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 16:56:57      -22.632336         0.667367
BFGS:    1 16:56:57      -22.640018         0.617594
BFGS:    2 16:56:57      -22.666046         0.323229
BFGS:    3 16:56:57      -22.671614         0.208091
BFGS:    4 16:56:57      -22.673018         0.207166
BFGS:    5 16:56:57      -22.686199         0.131756
BFGS:    6 16:56:57      -22.691088         0.046340
BFGS:    7 16:56:57      -22.691582         0.010139
BFGS:    8 16:56:57      -22.691609         0.000628
BFGS:    9 16:56:57      -22.691610         0.000099
BFGS:   10 16:56:57      -22.691610         0.000013
BFGS:   11 16:56:57      -22.691610         0.000000
BFGS:   12 16:56:57      -22.691610         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0806268708797234e-10 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 9.70913551e-35]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.556443993525236, -7.111214764957322e-36, 3.954900336558927e-32], [7.220970693363844e-37, 4.556443993525239, -4.186113978969925e-18], [5.4100888087952e-33, -3.706296636366039e-18, 3.9672531950750094]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.08062687e-10 -3.08062687e-10 -4.58658543e-11 -2.05076787e-27
 -8.25707503e-35 -2.86869884e-50]
energy per atom =  -5.672902422211293
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0