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_KangSaLee_2009_ZrAgCu__MO_813575892799_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 15:38:53      -25.236701         0.038847
BFGS:    1 15:38:53      -25.236761         0.033029
BFGS:    2 15:38:53      -25.236918         0.000136
BFGS:    3 15:38:53      -25.236918         0.000000
BFGS:    4 15:38:53      -25.236918         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.990460972333881e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.17929693e-51 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([[4.53281044194384, 3.1503703340363745e-35, -1.707574702432059e-33], [-5.380027480057087e-35, 4.53281044194384, -5.941655958643331e-23], [-2.1835381178735965e-34, -5.94165595881186e-23, 4.53281044194384]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.99046097e-13 -2.99046097e-13 -2.99046097e-13 -6.80152346e-29
  4.37433613e-35  9.92808501e-51]
energy per atom =  -6.3092294530067115
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0