element(s):
['U']
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:
['5.0848']
model name:
MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['U']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.0848, 0, 0], [0, 5.0848, 0], [0, 0, 5.0848]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:34:28      -18.080244         3.721605
BFGS:    1 15:34:28      -18.622041         3.496139
BFGS:    2 15:34:28      -19.129741         3.266876
BFGS:    3 15:34:28      -19.596106         2.950193
BFGS:    4 15:34:28      -20.013435         2.607319
BFGS:    5 15:34:28      -20.376229         2.223013
BFGS:    6 15:34:28      -20.678264         1.797244
BFGS:    7 15:34:28      -20.913365         1.330747
BFGS:    8 15:34:28      -21.075534         0.825206
BFGS:    9 15:34:28      -21.159114         0.283465
BFGS:   10 15:34:28      -21.169781         0.013064
BFGS:   11 15:34:28      -21.169803         0.000175
BFGS:   12 15:34:28      -21.169803         0.000000
BFGS:   13 15:34:28      -21.169803         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.344092530993382e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['U', 'U', 'U', 'U']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.44315354e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.4809481241112525, -9.222104345918784e-33, -7.089035243964727e-33], [-1.1495087121760815e-32, 4.4809481241112525, 2.0785483198777397e-17], [-1.674781266903283e-32, 2.07854831987774e-17, 4.4809481241112525]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.34409253e-14 -3.34409253e-14 -3.34409253e-14  1.18935174e-29
 -3.19727063e-36  1.09054621e-51]
energy per atom =  -5.292450714077851
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0