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 11:51:27       -0.112228         0.075337
BFGS:    1 11:51:27       -0.112471         0.075318
BFGS:    2 11:51:27       -0.123544         0.071209
BFGS:    3 11:51:27       -0.133373         0.057940
BFGS:    4 11:51:27       -0.140164         0.029439
BFGS:    5 11:51:27       -0.140991         0.024060
BFGS:    6 11:51:27       -0.141610         0.004020
BFGS:    7 11:51:27       -0.141630         0.000550
BFGS:    8 11:51:28       -0.141630         0.000267
BFGS:    9 11:51:28       -0.141630         0.000258
BFGS:   10 11:51:28       -0.141631         0.000167
BFGS:   11 11:51:28       -0.141631         0.000172
BFGS:   12 11:51:28       -0.141631         0.000117
BFGS:   13 11:51:28       -0.141631         0.000043
BFGS:   14 11:51:29       -0.141631         0.000013
BFGS:   15 11:51:29       -0.141631         0.000001
BFGS:   16 11:51:29       -0.141631         0.000000
BFGS:   17 11:51:29       -0.141631         0.000000
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