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_Smoothed_Bernardes_1958_Ar__MO_764178710049_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       -0.112228        0.0753
BFGS:    1 14:47:35       -0.112471        0.0753
BFGS:    2 14:47:35       -0.123544        0.0712
BFGS:    3 14:47:35       -0.133373        0.0579
BFGS:    4 14:47:35       -0.140164        0.0294
BFGS:    5 14:47:35       -0.140991        0.0241
BFGS:    6 14:47:35       -0.141610        0.0040
BFGS:    7 14:47:35       -0.141630        0.0006
BFGS:    8 14:47:35       -0.141630        0.0003
BFGS:    9 14:47:35       -0.141630        0.0003
BFGS:   10 14:47:35       -0.141631        0.0002
BFGS:   11 14:47:35       -0.141631        0.0002
BFGS:   12 14:47:35       -0.141631        0.0001
BFGS:   13 14:47:35       -0.141631        0.0000
BFGS:   14 14:47:35       -0.141631        0.0000
BFGS:   15 14:47:35       -0.141631        0.0000
BFGS:   16 14:47:35       -0.141631        0.0000
BFGS:   17 14:47:35       -0.141631        0.0000
Minimization converged after 17 steps.
Maximum force component: 1.8018184703174215e-34 eV/Angstrom
Maximum stress component: 5.148190207531645e-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([[3.7422305532316704, 5.2077326409727115e-17, -8.596935762092507e-38], [-1.8711152766158352, 3.2408667259169204, -1.605705521597554e-37], [-6.708481397428765e-37, -2.7602012167207082e-36, 6.108079060900862]])
forces =  [[-1.80181847e-34  1.04028038e-34 -2.39461124e-72]
 [ 1.80181847e-34 -1.04028038e-34  2.39461124e-72]]
stress =  [-5.14819021e-11 -5.14819021e-11 -3.94195913e-11 -2.59443859e-35
 -7.90160327e-48  1.65560376e-26]
energy per atom =  -0.07081528416726586
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0