element(s):
['Zr']
AFLOW prototype label:
A_hP2_194_c
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:
['3.232', '1.6019183']
model name:
EAM_Dynamo_MendelevAckland_2007_Zr__MO_537826574817_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.232, 0, 0], [-1.616, 2.7989941050313, 0], [0, 0, 5.1774]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:59:31      -13.269357         0.032670
BFGS:    1 12:59:31      -13.269371         0.026907
BFGS:    2 12:59:32      -13.269405         0.012006
BFGS:    3 12:59:32      -13.269409         0.010516
BFGS:    4 12:59:32      -13.269418         0.001719
BFGS:    5 12:59:32      -13.269418         0.000344
BFGS:    6 12:59:32      -13.269418         0.000016
BFGS:    7 12:59:32      -13.269418         0.000001
BFGS:    8 12:59:32      -13.269418         0.000000
BFGS:    9 12:59:32      -13.269418         0.000000
Minimization converged after 9 steps.
Maximum force component: 6.643801907351925e-32 eV/Angstrom
Maximum stress component: 1.1803766410036667e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.2340554786504154, 3.95124431937756e-19, -3.821524514682515e-41], [-1.6170277393252077, 2.800774201759501, -1.3335348562612892e-40], [-4.60873836945353e-39, 9.361832060967539e-38, 5.167647407871462]])
forces =  [[ 1.32876038e-32  1.62342821e-51  1.06160287e-32]
 [ 6.64380191e-32 -4.60296098e-32 -1.06160287e-32]]
stress =  [ 1.18037664e-11  1.18037664e-11  1.03525725e-11 -2.83875710e-34
  3.23329200e-49  4.55671420e-28]
energy per atom =  -6.634709190706806
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0