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_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_004
==== 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       -0.135548        0.0870
BFGS:    1 14:47:35       -0.135872        0.0870
BFGS:    2 14:47:35       -0.148768        0.0840
BFGS:    3 14:47:35       -0.160614        0.0722
BFGS:    4 14:47:35       -0.169672        0.0456
BFGS:    5 14:47:35       -0.173031        0.0065
BFGS:    6 14:47:35       -0.173065        0.0020
BFGS:    7 14:47:35       -0.173069        0.0006
BFGS:    8 14:47:35       -0.173069        0.0006
BFGS:    9 14:47:35       -0.173069        0.0007
BFGS:   10 14:47:35       -0.173069        0.0007
BFGS:   11 14:47:35       -0.173069        0.0006
BFGS:   12 14:47:35       -0.173069        0.0004
BFGS:   13 14:47:35       -0.173069        0.0001
BFGS:   14 14:47:35       -0.173069        0.0000
BFGS:   15 14:47:35       -0.173069        0.0000
BFGS:   16 14:47:35       -0.173069        0.0000
BFGS:   17 14:47:35       -0.173069        0.0000
Minimization converged after 17 steps.
Maximum force component: 4.765600441049007e-33 eV/Angstrom
Maximum stress component: 1.563575861679899e-10 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([[3.7116618298636426, 3.276391681728736e-17, -2.1380542530640465e-37], [-1.8558309149318213, 3.2143934349189482, 2.3308158002323417e-37], [4.079584305572365e-37, -3.620037098454521e-36, 6.061239298981768]])
forces =  [[ 4.76560044e-33 -3.30170484e-33 -4.04122399e-70]
 [-4.76560044e-33  3.30170484e-33  4.04122399e-70]]
stress =  [ 1.35686246e-10  1.35686246e-10  1.56357586e-10 -1.97701525e-35
 -1.75153347e-46 -3.54803610e-26]
energy per atom =  -0.08653448959610043
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0