element(s):
['Ar']
AFLOW prototype label:
A_hP2_194_c
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:
['4.1181', '1.6316262']
model name:
LJ_Truncated_Nguyen_2005_Ar__MO_398194508715_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ar']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[4.1181, 0, 0], [-2.05905, 3.5663792153247, 0], [0, 0, 6.7192]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:00:47       -0.136524         0.086439
BFGS:    1 18:00:47       -0.136845         0.086441
BFGS:    2 18:00:47       -0.149696         0.083475
BFGS:    3 18:00:47       -0.161668         0.071966
BFGS:    4 18:00:47       -0.170931         0.045908
BFGS:    5 18:00:47       -0.174561         0.005361
BFGS:    6 18:00:47       -0.174495         0.001569
BFGS:    7 18:00:47       -0.174497         0.000525
BFGS:    8 18:00:47       -0.174497         0.000528
BFGS:    9 18:00:47       -0.174586         0.000435
BFGS:   10 18:00:47       -0.174586         0.000276
BFGS:   11 18:00:47       -0.174586         0.000146
BFGS:   12 18:00:47       -0.174586         0.000048
BFGS:   13 18:00:47       -0.174586         0.000004
BFGS:   14 18:00:47       -0.174586         0.000000
BFGS:   15 18:00:47       -0.174586         0.000000
BFGS:   16 18:00:47       -0.174586         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.1114833390689846e-33 eV/Angstrom
Maximum stress component: 1.2086588577966793e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.710166714809503, 9.459580147556048e-17, 3.082783059669206e-38], [-1.8550833574047516, 3.2130986273004845, 4.4668087637538673e-38], [1.6357937245695354e-37, -2.5140403400555814e-37, 6.058404437561754]])
forces =  [[-3.57276059e-34  2.06273429e-34 -3.11148334e-33]
 [ 3.57276059e-34 -2.06273429e-34  3.11148334e-33]]
stress =  [ 2.15959684e-12  2.15959684e-12  1.20865886e-11 -1.50466490e-35
 -3.21306911e-36 -5.70876092e-28]
energy per atom =  -0.08729307918832645
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0