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_1958LowCutoff_Ar__MO_720819638419_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 14:46:01       -0.126337        0.0828
BFGS:    1 14:46:01       -0.126629        0.0828
BFGS:    2 14:46:01       -0.138768        0.0788
BFGS:    3 14:46:01       -0.149687        0.0658
BFGS:    4 14:46:01       -0.157763        0.0389
BFGS:    5 14:46:01       -0.160098        0.0134
BFGS:    6 14:46:01       -0.160274        0.0034
BFGS:    7 14:46:01       -0.160286        0.0004
BFGS:    8 14:46:01       -0.160286        0.0004
BFGS:    9 14:46:01       -0.160286        0.0005
BFGS:   10 14:46:01       -0.160286        0.0004
BFGS:   11 14:46:01       -0.160286        0.0002
BFGS:   12 14:46:01       -0.160286        0.0000
BFGS:   13 14:46:01       -0.160286        0.0000
BFGS:   14 14:46:01       -0.160286        0.0000
BFGS:   15 14:46:01       -0.160286        0.0000
BFGS:   16 14:46:01       -0.160286        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.195201438958354e-33 eV/Angstrom
Maximum stress component: 6.1522007935117544e-12 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([[3.72350440609186, 3.127498585864132e-18, 3.228892774807392e-37], [-1.86175220304593, 3.224649406778838, 3.157408090123578e-37], [-2.117085934564204e-36, -1.4168729305008894e-36, 6.083721861467773]])
forces =  [[ 1.19520144e-33  4.14029924e-34  1.64912071e-70]
 [ 7.17120863e-34 -4.14029924e-34  9.17829965e-73]]
stress =  [ 6.15220079e-12  6.15220079e-12  5.71717250e-12 -1.67710883e-35
 -6.37647302e-36  1.84045005e-28]
energy per atom =  -0.08014322085271401
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0