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 17:56:51        2.423090        2.1602
BFGS:    1 17:56:51        2.230877        1.9942
BFGS:    2 17:56:51        1.950395        1.7507
BFGS:    3 17:56:51        1.704247        1.5358
BFGS:    4 17:56:51        1.488379        1.3464
BFGS:    5 17:56:51        1.299192        1.1796
BFGS:    6 17:56:51        1.133493        1.0328
BFGS:    7 17:56:51        0.988454        0.9038
BFGS:    8 17:56:51        0.861572        0.7904
BFGS:    9 17:56:51        0.750637        0.6909
BFGS:   10 17:56:51        0.653698        0.6036
BFGS:   11 17:56:51        0.569032        0.5270
BFGS:   12 17:56:51        0.495124        0.4599
BFGS:   13 17:56:51        0.430639        0.4012
BFGS:   14 17:56:51        0.374403        0.3498
BFGS:   15 17:56:51        0.150595        4.7410
BFGS:   16 17:56:51        0.000000        0.0000
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([[5.847871734222513, -8.582360377011229e-33, -6.58730189914328e-34], [-1.7975779139566305e-32, 5.847871734222513, -1.1312002457051945e-17], [1.273236736986521e-34, -1.1312002457051937e-17, 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