element(s):
['H', 'Zr']
AFLOW prototype label:
AB_tP4_131_e_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:
['3.246', '1.5365989']
model name:
MEAM_LAMMPS_LeeLee_2014_ZrH__MO_946208788356_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'Zr']
representative atom coordinates =  [[0.   0.   0.25]
 [0.   0.5  0.  ]]
spacegroup =  131
cell =  [[3.246, 0, 0], [0, 3.246, 0], [0, 0, 4.9878]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:35:43      -17.522057        1.4559
BFGS:    1 16:35:43      -17.587639        1.4190
BFGS:    2 16:35:43      -17.729432        1.3265
BFGS:    3 16:35:43      -17.849817        1.2279
BFGS:    4 16:35:43      -17.948728        1.1246
BFGS:    5 16:35:43      -18.026766        1.0186
BFGS:    6 16:35:43      -18.085417        0.9124
BFGS:    7 16:35:43      -18.127330        0.8099
BFGS:    8 16:35:43      -18.156592        0.7159
BFGS:    9 16:35:43      -18.178648        0.6356
BFGS:   10 16:35:43      -18.198950        0.6310
BFGS:   11 16:35:43      -18.220721        0.7466
BFGS:   12 16:35:43      -18.244465        0.7918
BFGS:   13 16:35:43      -18.160225        5.3204
BFGS:   14 16:35:43      -18.261498        0.5276
BFGS:   15 16:35:43      -18.272101        0.4392
BFGS:   16 16:35:43      -18.289047        0.1705
BFGS:   17 16:35:43      -18.289313        0.0985
BFGS:   18 16:35:43      -18.289393        0.0121
BFGS:   19 16:35:43      -18.289396        0.0008
BFGS:   20 16:35:43      -18.289397        0.0000
BFGS:   21 16:35:43      -18.289397        0.0000
BFGS:   22 16:35:43      -18.289397        0.0000
Minimization converged after 22 steps.
Maximum force component: 8.544312852977863e-31 eV/Angstrom
Maximum stress component: 2.040857321611636e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 2.50000000e-01]
 [3.22526262e-34 5.57840692e-32 7.50000000e-01]
 [0.00000000e+00 5.00000000e-01 2.84500976e-33]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.0934158368654576, 6.606910034575066e-35, -6.291089063999091e-32], [6.676129640924057e-35, 3.0934158368654576, -1.3909204347648453e-16], [-5.612118312139808e-32, -2.4235269183460883e-16, 4.332481326646065]])
forces =  [[ 1.10679518e-62  4.77956410e-47 -8.54431285e-31]
 [-1.10679518e-62 -4.77956410e-47  8.54431285e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 2.21744016e-12  2.21744016e-12 -2.04085732e-11 -6.17722435e-27
  9.19698453e-34  2.65702645e-49]
energy per atom =  -4.572349127146954
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0