element(s):
['Mo']
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:
['4.028']
model name:
Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.028, 0, 0], [0, 4.028, 0], [0, 0, 4.028]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:05:06      -26.014726        0.6855
BFGS:    1 17:05:06      -26.033423        0.5828
BFGS:    2 17:05:06      -26.061076        0.2997
BFGS:    3 17:05:06      -26.067123        0.0551
BFGS:    4 17:05:06      -26.067353        0.0029
BFGS:    5 17:05:06      -26.067354        0.0000
BFGS:    6 17:05:06      -26.067354        0.0000
BFGS:    7 17:05:06      -26.067354        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.847774968484615e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.15479523e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.93459449e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.9820850400469863, 3.6761951630857956e-33, 5.196900861266223e-34], [7.46433664177629e-33, 3.9820850400469863, 1.1009349996973325e-17], [7.880625748628015e-33, 1.1009349996973314e-17, 3.9820850400469863]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.84777497e-15  6.84777497e-15  6.84777497e-15 -6.45482471e-31
  1.19623571e-62  3.32660575e-63]
energy per atom =  -6.516838509379113
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0