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 14:17:04      -13.269357         0.032670
BFGS:    1 14:17:04      -13.269371         0.026907
BFGS:    2 14:17:04      -13.269405         0.012006
BFGS:    3 14:17:04      -13.269409         0.010516
BFGS:    4 14:17:04      -13.269418         0.001719
BFGS:    5 14:17:04      -13.269418         0.000344
BFGS:    6 14:17:04      -13.269418         0.000016
BFGS:    7 14:17:04      -13.269418         0.000001
BFGS:    8 14:17:04      -13.269418         0.000000
BFGS:    9 14:17:04      -13.269418         0.000000
Minimization converged after 9 steps.
Maximum force component: 1.4118079053122836e-32 eV/Angstrom
Maximum stress component: 1.1803541674882845e-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([[3.234055478650414, -8.711031668326043e-20, 3.502927529590081e-38], [-1.617027739325207, 2.8007742017595016, 1.9475747248691973e-37], [-5.187551396974853e-38, 1.2011363944110004e-36, 5.167647407871462]])
forces =  [[-1.41180791e-32  1.43842531e-33 -5.30801434e-33]
 [ 1.41180791e-32 -1.43842531e-33  5.30801434e-33]]
stress =  [ 1.18035417e-11  1.18035417e-11  1.03524753e-11 -1.41937855e-34
  4.95310163e-48 -5.79291209e-28]
energy per atom =  -6.634709190706801
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0