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:
MEAM_LAMMPS_KimLee_2017_MgNd__MO_059320827436_001
==== 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 10:56:48      -13.436574         0.116490
BFGS:    1 10:56:48      -13.436952         0.108812
BFGS:    2 10:56:48      -13.439609         0.054076
BFGS:    3 10:56:48      -13.439650         0.050496
BFGS:    4 10:56:48      -13.439956         0.010010
BFGS:    5 10:56:48      -13.439995         0.004421
BFGS:    6 10:56:49      -13.440000         0.000484
BFGS:    7 10:56:49      -13.440000         0.000062
BFGS:    8 10:56:49      -13.440000         0.000001
BFGS:    9 10:56:49      -13.440000         0.000000
BFGS:   10 10:56:49      -13.440000         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.8679757550413035e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nd', 'Nd', 'Nd', 'Nd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.27022345e-53 1.05404469e-52 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[3.659999997638793, -4.8600444346838464e-18, -6.318993427140704e-37], [-1.8299999988193965, 3.1696529758061804, -1.3909413349101004e-36], [2.303506809006827e-36, -3.157901852547261e-36, 11.953509937086448]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.86797576e-12 -4.86797576e-12 -4.42230864e-12  2.71101581e-35
 -4.69561712e-35  1.05309897e-27]
energy per atom =  -3.360000000124473
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0