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_MendelevKramerHao_2012_NiZr__MO_149104665840_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 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: 1.718768339161758e-32 eV/Angstrom
Maximum stress component: 4.137148589950326e-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, 2.836466850627494e-18, -1.5466461084858283e-36], [-1.610149693823255, 2.7888610774933498, -2.3190752303883703e-36], [2.2910036462568586e-39, -5.082721044774575e-36, 5.215205987524413]])
forces =  [[-9.92331363e-33  5.72922780e-33 -1.58682067e-69]
 [-3.30777121e-33  1.71876834e-32 -1.74697188e-68]]
stress =  [-4.13714859e-11 -4.13714859e-11  2.30853844e-11  5.64977110e-34
 -2.43368720e-47 -1.72848356e-27]
energy per atom =  -6.469265893625459
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0