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_LeeLee_2014_ZrH__MO_946208788356_002
==== 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      -25.236701         0.038847
BFGS:    1 15:24:36      -25.236761         0.033029
BFGS:    2 15:24:36      -25.236918         0.000136
BFGS:    3 15:24:36      -25.236918         0.000000
BFGS:    4 15:24:36      -25.236918         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.991985209492963e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.90994293e-54 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([[4.532810441934576, 2.2644076897178932e-34, -2.68531288262616e-38], [-1.5085958162515704e-37, 4.532810441934576, 5.115924122763815e-22], [5.42180888542701e-39, 5.115924122763816e-22, 4.532810441934576]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.99198521e-13 -2.99198521e-13 -2.99198521e-13  2.95384557e-32
 -5.07735443e-36  2.70907475e-55]
energy per atom =  -6.309229453006496
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0