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 17:25:11      -25.236701        0.0388
BFGS:    1 17:25:11      -25.236761        0.0330
BFGS:    2 17:25:11      -25.236918        0.0001
BFGS:    3 17:25:11      -25.236918        0.0000
BFGS:    4 17:25:11      -25.236918        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.99198520949296e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.532810441934576, -4.5337837009958684e-34, 7.3623442272400505e-34], [1.1328884353261608e-33, 4.532810441934576, 5.153846794996512e-22], [-5.382828466121863e-34, 5.153846795011243e-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 -2.05665841e-29
  1.56226290e-36  1.17011756e-52]
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