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_MendelevSunZhang_2019_CuZr__MO_609260676108_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 15:12:50      -12.937265        0.1181
BFGS:    1 15:12:50      -12.937532        0.1043
BFGS:    2 15:12:50      -12.938527        0.0104
BFGS:    3 15:12:50      -12.938530        0.0046
BFGS:    4 15:12:50      -12.938531        0.0026
BFGS:    5 15:12:50      -12.938532        0.0003
BFGS:    6 15:12:50      -12.938532        0.0001
BFGS:    7 15:12:50      -12.938532        0.0000
BFGS:    8 15:12:50      -12.938532        0.0000
BFGS:    9 15:12:50      -12.938532        0.0000
Minimization converged after 9 steps.
Maximum force component: 6.61554242212264e-33 eV/Angstrom
Maximum stress component: 4.13686212253384e-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([[3.2202993877398067, -2.042737945105711e-19, 1.8882070242514015e-38], [-1.6101496938699034, 2.7888610775741456, -1.0811832392738295e-39], [-2.1440990588864367e-37, -1.3801274832856456e-36, 5.215205988647513]])
forces =  [[-6.61554242e-33  4.19644819e-52 -3.87899141e-71]
 [ 6.61554242e-33 -4.19644819e-52  3.87899141e-71]]
stress =  [-4.13686212e-11 -4.13686212e-11  2.30858099e-11 -1.05933208e-34
  6.11605662e-35 -2.69892977e-27]
energy per atom =  -6.469265893624405
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0