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_002
==== 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 16:21:36      -18.080244         3.721605
BFGS:    1 16:21:36      -18.622041         3.496139
BFGS:    2 16:21:36      -19.129741         3.266876
BFGS:    3 16:21:36      -19.596106         2.950193
BFGS:    4 16:21:36      -20.013435         2.607319
BFGS:    5 16:21:36      -20.376229         2.223013
BFGS:    6 16:21:36      -20.678264         1.797244
BFGS:    7 16:21:36      -20.913365         1.330747
BFGS:    8 16:21:36      -21.075534         0.825206
BFGS:    9 16:21:36      -21.159114         0.283465
BFGS:   10 16:21:36      -21.169781         0.013064
BFGS:   11 16:21:36      -21.169803         0.000175
BFGS:   12 16:21:36      -21.169803         0.000000
BFGS:   13 16:21:36      -21.169803         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.3670563663089116e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['U', 'U', 'U', 'U']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.87686585e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.480948124111252, 1.8361749685066146e-32, -3.908913492793211e-33], [3.1352341517850243e-32, 4.4809481241112525, -3.1281172869732806e-17], [-2.1498843178327956e-32, -3.128117286973278e-17, 4.4809481241112525]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.36705637e-14 -3.36705637e-14 -3.36705637e-14  1.17090449e-30
 -2.43791886e-35  3.54762243e-51]
energy per atom =  -5.292450714077848
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0