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 15:12:29      -12.935933        0.1195
BFGS:    1 15:12:29      -12.936200        0.1052
BFGS:    2 15:12:29      -12.937194        0.0117
BFGS:    3 15:12:29      -12.937197        0.0057
BFGS:    4 15:12:29      -12.937199        0.0028
BFGS:    5 15:12:29      -12.937200        0.0004
BFGS:    6 15:12:29      -12.937200        0.0001
BFGS:    7 15:12:29      -12.937200        0.0000
BFGS:    8 15:12:29      -12.937200        0.0000
BFGS:    9 15:12:29      -12.937200        0.0000
Minimization converged after 9 steps.
Maximum force component: 2.5404475087130255e-30 eV/Angstrom
Maximum stress component: 6.98390290717309e-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([[3.2203998092683768, 7.624201116632651e-18, 1.918744555951778e-37], [-1.6101999046341884, 2.7889480451689765, 1.9153632024924766e-37], [-7.043969552123701e-38, 2.4559482167940073e-36, 5.215353437103286]])
forces =  [[-2.54044751e-30  1.46672805e-30  1.71424518e-31]
 [ 2.54044751e-30 -1.46672805e-30 -1.71424518e-31]]
stress =  [-6.98390291e-11 -6.98390291e-11  4.45323866e-11  7.23127705e-32
 -1.25249393e-31 -1.68656689e-26]
energy per atom =  -6.4685997911387565
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0