element(s):
['Nd']
AFLOW prototype label:
A_hP4_194_ac
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:
['3.6858', '3.2279831']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nd', 'Nd']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.6858, 0, 0], [-1.8429, 3.1919964332687, 0], [0, 0, 11.8977]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:27:42      -21.441512        20.244546
BFGS:    1 14:27:42      -23.643634        14.742312
BFGS:    2 14:27:42      -25.227862        10.284162
BFGS:    3 14:27:42      -26.282112         6.692568
BFGS:    4 14:27:42      -26.920541         3.809428
BFGS:    5 14:27:42      -27.231543         1.511531
BFGS:    6 14:27:42      -27.294909         0.313780
BFGS:    7 14:27:42      -27.297008         0.068047
BFGS:    8 14:27:42      -27.297082         0.031149
BFGS:    9 14:27:42      -27.297132         0.015607
BFGS:   10 14:27:42      -27.297140         0.003868
BFGS:   11 14:27:42      -27.297140         0.000628
BFGS:   12 14:27:42      -27.297140         0.000038
BFGS:   13 14:27:42      -27.297140         0.000001
BFGS:   14 14:27:42      -27.297140         0.000000
BFGS:   15 14:27:42      -27.297140         0.000000
Minimization converged after 15 steps.
Maximum force component: 3.2791865975815347e-32 eV/Angstrom
Maximum stress component: 1.1381651529310968e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nd', 'Nd', 'Nd', 'Nd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.48627822e-51 1.26307274e-50 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[3.9095045126015924, 1.550339060648561e-17, 1.1488151091688261e-34], [-1.9547522563007962, 3.3857302241228795, 1.8373141873571854e-34], [9.858290308177958e-36, 4.061397168987697e-34, 12.769882701879084]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.60627879e-32 -6.36980143e-50  3.27918660e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.13816515e-11 -1.13816515e-11 -7.60213329e-12 -9.50298287e-34
  6.58385966e-34  1.22865360e-27]
energy per atom =  -6.82428501837012
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0