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_Mendelev_2019_CuZr__MO_945018740343_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 14:16:46      -12.935933         0.119474
BFGS:    1 14:16:46      -12.936200         0.105242
BFGS:    2 14:16:46      -12.937194         0.011745
BFGS:    3 14:16:46      -12.937197         0.005748
BFGS:    4 14:16:46      -12.937199         0.002815
BFGS:    5 14:16:46      -12.937200         0.000357
BFGS:    6 14:16:46      -12.937200         0.000096
BFGS:    7 14:16:46      -12.937200         0.000005
BFGS:    8 14:16:46      -12.937200         0.000000
BFGS:    9 14:16:46      -12.937200         0.000000
Minimization converged after 9 steps.
Maximum force component: 5.0808950174259066e-30 eV/Angstrom
Maximum stress component: 6.992031803979502e-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([[3.2203998092682853, 7.633347477234873e-18, -3.8119288943227715e-37], [-1.6101999046341426, 2.7889480451688966, -7.987535128273766e-37], [4.669643193254485e-37, 2.915922584439606e-37, 5.215353437103395]])
forces =  [[-5.08089502e-30  2.93345611e-30 -4.39196335e-67]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-6.99203180e-11 -6.99203180e-11  4.44924851e-11 -6.90659224e-47
  2.50498785e-31 -6.30677295e-28]
energy per atom =  -6.468599791137597
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0