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 15:27:07      -26.014726         0.685495
BFGS:    1 15:27:07      -26.033423         0.582782
BFGS:    2 15:27:07      -26.061076         0.299653
BFGS:    3 15:27:07      -26.067123         0.055067
BFGS:    4 15:27:07      -26.067353         0.002919
BFGS:    5 15:27:07      -26.067354         0.000032
BFGS:    6 15:27:07      -26.067354         0.000000
BFGS:    7 15:27:07      -26.067354         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.4446247710159125e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.982085040046986, -3.740146921001645e-33, 1.1603511886638379e-33], [7.466218832609669e-33, 3.982085040046986, 1.1044915616975056e-17], [-1.7451434674200364e-32, 1.1044915616975091e-17, 3.982085040046986]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.44462477e-15  6.44462477e-15  6.44462477e-15 -7.48558777e-31
 -8.09707507e-36  2.73506404e-51]
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