element(s):
['Zr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5286']
model name:
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.5286, 0, 0], [0, 4.5286, 0], [0, 0, 4.5286]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:37:36      -25.752111         0.145884
BFGS:    1 15:37:36      -25.752951         0.122749
BFGS:    2 15:37:36      -25.755096         0.008899
BFGS:    3 15:37:36      -25.755108         0.000576
BFGS:    4 15:37:36      -25.755108         0.000004
BFGS:    5 15:37:36      -25.755108         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4992083884647374e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.50212166e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.13858667e-38]]
cellpar =  Cell([[4.544524766946487, 4.1374467604258535e-37, 1.888830944360208e-33], [3.816194884982233e-37, 4.544524766946487, -3.3685271802045807e-21], [-6.088155807787907e-33, -3.368527180202772e-21, 4.544524766946487]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.49920839e-10 -1.49920839e-10 -1.49920839e-10 -3.33142614e-26
 -9.32531555e-35 -2.07174225e-50]
energy per atom =  -6.438777009066212
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0