element(s):
['Cu', 'Zr']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2717']
model name:
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2717, 0, 0], [0, 3.2717, 0], [0, 0, 3.2717]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:34:29      -10.026410         0.092189
BFGS:    1 12:34:29      -10.026776         0.092686
BFGS:    2 12:34:29      -10.005926         0.662806
BFGS:    3 12:34:29      -10.028449         0.086613
BFGS:    4 12:34:29      -10.029643         0.068118
BFGS:    5 12:34:30      -10.028698         0.142871
BFGS:    6 12:34:30      -10.030533         0.026455
BFGS:    7 12:34:30      -10.030636         0.007689
BFGS:    8 12:34:30      -10.030644         0.000824
BFGS:    9 12:34:30      -10.030644         0.000003
BFGS:   10 12:34:30      -10.030644         0.000000
BFGS:   11 12:34:30      -10.030644         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.67705832549753e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.236928955531405, 6.732170762233624e-33, 1.868540818869031e-33], [9.339573724168593e-33, 3.236928955531405, -1.7494386468086176e-17], [-2.145053335209678e-33, -1.749438646808618e-17, 3.236928955531405]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.67705833e-14 -2.67705833e-14 -2.67705833e-14 -2.27149459e-31
 -3.92132529e-34 -1.80579662e-51]
energy per atom =  -5.015322102531352
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0