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_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005
==== 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 12:59:57      -12.937266         0.118155
BFGS:    1 12:59:57      -12.937532         0.104337
BFGS:    2 12:59:58      -12.938527         0.010468
BFGS:    3 12:59:58      -12.938530         0.004591
BFGS:    4 12:59:58      -12.938531         0.002635
BFGS:    5 12:59:58      -12.938532         0.000291
BFGS:    6 12:59:58      -12.938532         0.000078
BFGS:    7 12:59:58      -12.938532         0.000004
BFGS:    8 12:59:58      -12.938532         0.000000
BFGS:    9 12:59:58      -12.938532         0.000000
Minimization converged after 9 steps.
Maximum force component: 2.9769932491003656e-32 eV/Angstrom
Maximum stress component: 3.3415661268950935e-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([[3.220298478163171, 1.8030577823037484e-18, 1.4448070686204195e-37], [-1.6101492390815855, 2.788860289857672, -1.4369475117975098e-37], [6.202944756723928e-40, -6.371349798633718e-37, 5.215207017325553]])
forces =  [[ 2.97699325e-32 -5.72922618e-33  2.14274632e-32]
 [-2.97699325e-32  5.72922618e-33 -2.14274632e-32]]
stress =  [-3.34156613e-11 -3.34156613e-11  2.00501840e-11 -1.05933217e-34
 -6.11605714e-35  6.65407648e-27]
energy per atom =  -6.469265894730626
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0