element(s):
['Zr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5286']
model name:
MEAM_LAMMPS_MooreBeelerDeo_2015_UZr__MO_453094726678_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.5286, 0, 0], [0, 4.5286, 0], [0, 0, 4.5286]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:24:36      -24.473223         0.636864
BFGS:    1 15:24:36      -24.489620         0.564419
BFGS:    2 15:24:36      -24.543086         0.141317
BFGS:    3 15:24:36      -24.546403         0.009737
BFGS:    4 15:24:36      -24.546419         0.000151
BFGS:    5 15:24:36      -24.546419         0.000000
BFGS:    6 15:24:36      -24.546419         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1495301100118794e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.15475371e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.443985072927715, -2.769560595913813e-33, -2.6150810808433108e-33], [-9.18136940010502e-34, 4.443985072927715, 8.954958929199499e-18], [-1.0566684504454259e-32, 8.954958929199523e-18, 4.443985072927715]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.14953011e-13 -1.14953011e-13 -1.14953011e-13 -4.39109802e-29
  2.92561085e-35  6.10461937e-51]
energy per atom =  -6.136604650126999
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0