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_AcklandWoodingBacon_1995v2_Zr__MO_398441626455_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 15:17:06      -12.497725         0.194322
BFGS:    1 15:17:06      -12.498845         0.134563
BFGS:    2 15:17:06      -12.499804         0.026851
BFGS:    3 15:17:06      -12.499819         0.026599
BFGS:    4 15:17:06      -12.499867         0.011029
BFGS:    5 15:17:06      -12.499872         0.002743
BFGS:    6 15:17:06      -12.499872         0.000221
BFGS:    7 15:17:06      -12.499872         0.000010
BFGS:    8 15:17:06      -12.499872         0.000000
BFGS:    9 15:17:06      -12.499872         0.000000
Minimization converged after 9 steps.
Maximum force component: 2.1293013273073995e-32 eV/Angstrom
Maximum stress component: 2.813060232260972e-10 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([[3.2488640361868524, -2.9093614701260163e-18, 2.4836340523559717e-37], [-1.6244320180934262, 2.8135987887794602, 1.5679552463780644e-37], [9.239165850245804e-37, 3.8299665380049095e-36, 5.182483402805742]])
forces =  [[ 8.34277938e-34 -1.44501178e-33  2.12930133e-32]
 [-8.34277938e-34  1.44501178e-33 -2.12930133e-32]]
stress =  [-2.10646152e-10 -2.10646152e-10 -2.81306023e-10  2.65607765e-46
  8.74094900e-47  6.11839588e-26]
energy per atom =  -6.249936004401645
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0