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:
MEAM_LAMMPS_MooreBeelerDeo_2015_UZr__MO_453094726678_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 13:01:05      -12.283048         0.883418
BFGS:    1 13:01:05      -12.306215         0.702229
BFGS:    2 13:01:05      -12.340066         0.193849
BFGS:    3 13:01:05      -12.340735         0.116003
BFGS:    4 13:01:05      -12.341027         0.080360
BFGS:    5 13:01:05      -12.341511         0.020113
BFGS:    6 13:01:05      -12.341536         0.004490
BFGS:    7 13:01:05      -12.341537         0.000440
BFGS:    8 13:01:05      -12.341537         0.000020
BFGS:    9 13:01:06      -12.341537         0.000000
BFGS:   10 13:01:06      -12.341537         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.6107000652177923e-32 eV/Angstrom
Maximum stress component: 1.522869576680045e-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([[3.1362123332520695, 4.961087971461025e-17, -3.5124892191139947e-37], [-1.5681061666260347, 2.716039552258359, -2.28446609664495e-36], [-6.566910423657764e-37, -4.8139396480985413e-35, 5.137187104229722]])
forces =  [[-1.61070007e-32  5.57962870e-33 -3.24987736e-69]
 [ 1.61070007e-32 -5.57962870e-33  3.24987736e-69]]
stress =  [-1.52286958e-10 -1.52286958e-10 -1.07183796e-10  3.00768368e-45
  1.53839471e-45 -6.87232853e-27]
energy per atom =  -6.17076856492819
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0