element(s):
['Nd']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1799']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nd']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.1799, 0, 0], [0, 5.1799, 0], [0, 0, 5.1799]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:28:44      -20.938523        19.614637
BFGS:    1 16:28:44      -23.443927        14.017968
BFGS:    2 16:28:44      -25.194996         9.497023
BFGS:    3 16:28:44      -26.338380         5.884304
BFGS:    4 16:28:44      -26.997187         3.010622
BFGS:    5 16:28:44      -27.271593         0.738314
BFGS:    6 16:28:44      -27.292066         0.110112
BFGS:    7 16:28:44      -27.292557         0.005050
BFGS:    8 16:28:44      -27.292558         0.000037
BFGS:    9 16:28:44      -27.292558         0.000000
BFGS:   10 16:28:44      -27.292558         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.239565117412193e-16 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nd', 'Nd', 'Nd', 'Nd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.96721805e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.5285479248505265, 9.697855032432266e-33, 3.6667603764160014e-33], [5.6857655275475334e-33, 5.5285479248505265, -2.0693671355678345e-18], [1.3930201607700245e-34, -2.0693671355678326e-18, 5.528547924850527]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.23956512e-16  2.23956512e-16  2.23956512e-16  4.11256701e-32
 -3.36060180e-35 -3.28818273e-51]
energy per atom =  -6.823139557022032
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0