element(s):
['Mo']
AFLOW prototype label:
A_hP1_191_a
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:
['2.7779', '0.90949998']
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 =  191
cell =  [[2.7779, 0, 0], [-1.38895, 2.4057319691728, 0], [0, 0, 2.5265]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:30:21       -5.987806         0.494952
BFGS:    1 15:30:21       -5.990624         0.330741
BFGS:    2 15:30:21       -5.991469         0.145353
BFGS:    3 15:30:21       -5.991907         0.043331
BFGS:    4 15:30:21       -5.991937         0.012901
BFGS:    5 15:30:21       -5.991940         0.000262
BFGS:    6 15:30:21       -5.991940         0.000000
BFGS:    7 15:30:21       -5.991940         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6594957807092733e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.804176645728168, -1.344767929063476e-18, -8.00936827971004e-38], [-1.402088322864084, 2.428488211899629, -2.4471297952318246e-37], [1.3587719647641635e-36, 4.375254894805491e-35, 2.510228124777858]])
forces =  [[0. 0. 0.]]
stress =  [ 1.65949578e-10  1.65949578e-10 -9.75999656e-11  3.74624080e-38
  6.48868020e-38  5.83247474e-26]
energy per atom =  -5.991939921413172
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0