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:
Morse_SigmoidalSmoothed_Jelinek_1972_Ar__MO_071460865933_002
==== 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 16:59:01       -0.000091         0.000057
BFGS:    1 16:59:01       -0.000091         0.000057
BFGS:    2 16:59:01       -0.000099         0.000053
BFGS:    3 16:59:01       -0.000107         0.000043
BFGS:    4 16:59:01       -0.000112         0.000026
BFGS:    5 16:59:01       -0.000113         0.000005
BFGS:    6 16:59:01       -0.000114         0.000001
BFGS:    7 16:59:01       -0.000114         0.000000
BFGS:    8 16:59:01       -0.000114         0.000001
BFGS:    9 16:59:01       -0.000114         0.000001
BFGS:   10 16:59:01       -0.000114         0.000000
BFGS:   11 16:59:01       -0.000114         0.000000
BFGS:   12 16:59:01       -0.000114         0.000000
BFGS:   13 16:59:01       -0.000114         0.000000
BFGS:   14 16:59:02       -0.000114         0.000000
BFGS:   15 16:59:02       -0.000114         0.000000
BFGS:   16 16:59:02       -0.000114         0.000000
BFGS:   17 16:59:02       -0.000114         0.000000
BFGS:   18 16:59:02       -0.000114         0.000000
BFGS:   19 16:59:02       -0.000114         0.000000
BFGS:   20 16:59:02       -0.000114         0.000000
Minimization converged after 20 steps.
Maximum force component: 3.045331237967452e-36 eV/Angstrom
Maximum stress component: 7.629654667101222e-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([[3.7210583554117487, 6.951232041355972e-17, -4.200965622416709e-38], [-1.8605291777058743, 3.2225310647509184, 8.217890995809586e-38], [5.380866051191608e-37, 5.871118294219082e-37, 6.071909306917011]])
forces =  [[-1.16642215e-37  1.01015122e-37 -3.04533124e-36]
 [ 1.16642215e-37 -1.01015122e-37  3.04533124e-36]]
stress =  [-4.33648278e-11 -4.33648278e-11  7.62965467e-11  1.28161291e-38
  5.54954671e-39  4.37955760e-27]
energy per atom =  -5.676902217567155e-05
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0