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 13:11:59      -21.441512       20.2445
BFGS:    1 13:11:59      -23.643634       14.7423
BFGS:    2 13:11:59      -25.227862       10.2842
BFGS:    3 13:11:59      -26.282112        6.6926
BFGS:    4 13:11:59      -26.920541        3.8094
BFGS:    5 13:11:59      -27.231543        1.5115
BFGS:    6 13:11:59      -27.294909        0.3138
BFGS:    7 13:11:59      -27.297008        0.0680
BFGS:    8 13:11:59      -27.297082        0.0311
BFGS:    9 13:11:59      -27.297132        0.0156
BFGS:   10 13:11:59      -27.297140        0.0039
BFGS:   11 13:11:59      -27.297140        0.0006
BFGS:   12 13:11:59      -27.297140        0.0000
BFGS:   13 13:11:59      -27.297140        0.0000
BFGS:   14 13:11:59      -27.297140        0.0000
BFGS:   15 13:11:59      -27.297140        0.0000
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]
 [5.39184201e-52 3.94710230e-52 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, 1.3135910854661722e-18, 4.210623135688447e-36], [-1.9547522563007962, 3.3857302241228795, 9.303705566115929e-35], [1.4916075548925405e-35, 9.126156760799591e-36, 12.769882701879084]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.60627879e-32 -5.39708673e-51  3.27918660e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.13816515e-11 -1.13816515e-11 -7.60213329e-12 -1.90059657e-33
  1.31677193e-33  1.11248344e-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