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_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000
==== 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 16:23:29      -25.752111         0.145887
BFGS:    1 16:23:29      -25.752951         0.122763
BFGS:    2 16:23:29      -25.755096         0.008838
BFGS:    3 16:23:29      -25.755108         0.000562
BFGS:    4 16:23:29      -25.755108         0.000003
BFGS:    5 16:23:29      -25.755108         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.463050234610688e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.64869585e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.544524113283647, 1.2718914753764577e-33, -1.99004334834801e-33], [-9.040767515353249e-33, 4.544524113283647, -2.0766897350809533e-19], [1.4021844655634546e-33, -2.076689735080971e-19, 4.544524113283647]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.46305023e-11 -3.46305023e-11 -3.46305023e-11 -9.11280023e-29
  8.54820838e-36  1.08135375e-52]
energy per atom =  -6.438777010765048
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0