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_KimLee_2008_CuZr__MO_407917731909_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 16:25:55      -25.236701         0.038847
BFGS:    1 16:25:55      -25.236761         0.033029
BFGS:    2 16:25:55      -25.236918         0.000136
BFGS:    3 16:25:55      -25.236918         0.000000
BFGS:    4 16:25:55      -25.236918         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.99046097233388e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.76894539e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.29665068e-39]]
cellpar =  Cell([[4.53281044194384, 3.15037033222272e-35, -1.7020398660157416e-33], [-5.380027480057081e-35, 4.53281044194384, -5.941655958643331e-23], [1.652575623903636e-33, -5.941655958834521e-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  9.06902867e-29
  4.37433613e-35 -1.54192577e-50]
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