element(s):
['Mo']
AFLOW prototype label:
A_hP4_194_ac
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:
['2.7695', '3.5762773']
model name:
Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo', 'Mo']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.7695, 0, 0], [-1.38475, 2.398457355781, 0], [0, 0, 9.9045]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:20:22      -25.928683        1.4740
BFGS:    1 15:20:22      -25.959134        1.3901
BFGS:    2 15:20:22      -26.025343        1.1618
BFGS:    3 15:20:22      -26.081362        0.8867
BFGS:    4 15:20:22      -26.126281        0.5936
BFGS:    5 15:20:22      -26.160014        0.4863
BFGS:    6 15:20:22      -26.182708        0.4978
BFGS:    7 15:20:22      -26.195413        0.4324
BFGS:    8 15:20:22      -26.203039        0.3058
BFGS:    9 15:20:22      -26.211411        0.0596
BFGS:   10 15:20:22      -26.211814        0.0109
BFGS:   11 15:20:22      -26.211835        0.0021
BFGS:   12 15:20:22      -26.211835        0.0007
BFGS:   13 15:20:22      -26.211835        0.0001
BFGS:   14 15:20:22      -26.211835        0.0000
BFGS:   15 15:20:22      -26.211835        0.0000
BFGS:   16 15:20:22      -26.211835        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.1723976161214636e-32 eV/Angstrom
Maximum stress component: 1.136215655389541e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.87333308e-51 0.00000000e+00 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.8534858402224357, -4.680826627899838e-18, -7.484179116825659e-36], [-1.4267429201112178, 2.471191226971812, -1.3667212585302462e-35], [-2.4476591407432324e-35, -6.951055499905938e-35, 9.090513799554508]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.17239762e-32  1.92318809e-50  4.66871806e-33]
 [ 8.79298212e-33  5.07663059e-33 -9.33743613e-33]]
stress =  [-2.51130657e-11 -2.51130657e-11 -1.13621566e-10 -1.82896090e-34
 -3.16785320e-34  2.02007282e-26]
energy per atom =  -6.552958831448416
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0