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_WilsonMendelev_2015_NiZr__MO_306032198193_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 15:17:10      -12.937265         0.118146
BFGS:    1 15:17:10      -12.937532         0.104326
BFGS:    2 15:17:10      -12.938527         0.010400
BFGS:    3 15:17:10      -12.938530         0.004593
BFGS:    4 15:17:10      -12.938531         0.002610
BFGS:    5 15:17:10      -12.938532         0.000297
BFGS:    6 15:17:10      -12.938532         0.000078
BFGS:    7 15:17:10      -12.938532         0.000004
BFGS:    8 15:17:10      -12.938532         0.000000
BFGS:    9 15:17:10      -12.938532         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.137123715909315e-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([[3.22029938764651, 2.837642598042216e-18, 7.748218491733182e-37], [-1.610149693823255, 2.7888610774933507, -7.732979309024541e-37], [-1.3969227285252049e-36, -3.966752115046591e-36, 5.215205987524413]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.13712372e-11 -4.13712372e-11  2.30855243e-11 -1.41244278e-34
 -2.44642265e-34 -7.46954895e-27]
energy per atom =  -6.469265893625456
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0