element(s):
['H']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2058']
model name:
MEAM_LAMMPS_LeeLee_2014_ZrH__MO_946208788356_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['H']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[4.2058, 0, 0], [0, 4.2058, 0], [0, 0, 4.2058]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:57:06        2.423090         2.160241
BFGS:    1 15:57:06        2.230877         1.994151
BFGS:    2 15:57:06        1.950395         1.750664
BFGS:    3 15:57:06        1.704247         1.535813
BFGS:    4 15:57:06        1.488379         1.346418
BFGS:    5 15:57:06        1.299192         1.179617
BFGS:    6 15:57:06        1.133493         1.032842
BFGS:    7 15:57:06        0.988454         0.903793
BFGS:    8 15:57:06        0.861572         0.790416
BFGS:    9 15:57:06        0.750637         0.690881
BFGS:   10 15:57:06        0.653698         0.603558
BFGS:   11 15:57:06        0.569032         0.526999
BFGS:   12 15:57:06        0.495124         0.459920
BFGS:   13 15:57:06        0.430639         0.401183
BFGS:   14 15:57:06        0.374403         0.349782
BFGS:   15 15:57:06        0.150595         4.741031
BFGS:   16 15:57:06        0.000000         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 0.0 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.847871734222512, -2.2887429407164797e-32, -1.9270065675772194e-34], [-2.6433988330626936e-32, 5.847871734222513, -2.2152488576260186e-18], [3.733329725315669e-34, -2.215248857626008e-18, 5.847871734222513]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [0. 0. 0. 0. 0. 0.]
energy per atom =  0.0
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0