element(s):
['Zr']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.232', '1.6019183']
model name:
MEAM_LAMMPS_LeeLee_2014_ZrH__MO_946208788356_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.232, 0, 0], [-1.616, 2.7989941050313, 0], [0, 0, 5.1774]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:13:00      -12.725224        0.2394
BFGS:    1 15:13:00      -12.726217        0.1868
BFGS:    2 15:13:00      -12.727446        0.0423
BFGS:    3 15:13:00      -12.727508        0.0384
BFGS:    4 15:13:00      -12.727738        0.0007
BFGS:    5 15:13:00      -12.727738        0.0000
BFGS:    6 15:13:00      -12.727738        0.0000
Minimization converged after 6 steps.
Maximum force component: 1.9911366854103512e-32 eV/Angstrom
Maximum stress component: 8.786849217855126e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.230803986428005, -2.2909873442498015e-18, -8.697275461700707e-42], [-1.6154019932140025, 2.7979583268946873, 6.813429800802838e-41], [-3.1601215349229708e-37, -1.7698602841301095e-37, 5.125233738361548]])
forces =  [[-1.99113669e-32  1.14958330e-32 -5.26444860e-33]
 [ 1.99113669e-32 -1.14958330e-32  5.26444860e-33]]
stress =  [-6.49513123e-11 -6.49513123e-11 -8.78684922e-11 -5.73025940e-34
 -3.16695793e-47  1.57827649e-26]
energy per atom =  -6.3638691270190595
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0