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 14:47:35       -0.136524        0.0864
BFGS:    1 14:47:35       -0.136845        0.0864
BFGS:    2 14:47:35       -0.149696        0.0835
BFGS:    3 14:47:35       -0.161668        0.0720
BFGS:    4 14:47:35       -0.170931        0.0459
BFGS:    5 14:47:35       -0.174561        0.0054
BFGS:    6 14:47:35       -0.174495        0.0016
BFGS:    7 14:47:35       -0.174497        0.0005
BFGS:    8 14:47:35       -0.174497        0.0005
BFGS:    9 14:47:35       -0.174586        0.0004
BFGS:   10 14:47:35       -0.174586        0.0003
BFGS:   11 14:47:35       -0.174586        0.0001
BFGS:   12 14:47:35       -0.174586        0.0000
BFGS:   13 14:47:35       -0.174586        0.0000
BFGS:   14 14:47:35       -0.174586        0.0000
BFGS:   15 14:47:35       -0.174586        0.0000
BFGS:   16 14:47:35       -0.174586        0.0000
Minimization converged after 16 steps.
Maximum force component: 7.14552117472044e-34 eV/Angstrom
Maximum stress component: 1.208659073967475e-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([[3.7101667148095037, 9.486605432621622e-17, -7.936180039464879e-38], [-1.8550833574047518, 3.213098627300485, -1.166329717195629e-38], [-4.3848983445770026e-37, -1.2037457807428496e-36, 6.058404437561753]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-7.14552117e-34  4.12546857e-34  8.69217164e-72]]
stress =  [2.15960552e-12 2.15960552e-12 1.20865907e-11 1.48405305e-35
 2.85606143e-36 5.19057334e-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