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_Shifted_Jelinek_1972_Ar__MO_831902330215_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 16:59:02       -0.144950         0.099926
BFGS:    1 16:59:02       -0.145375         0.099858
BFGS:    2 16:59:02       -0.159901         0.093686
BFGS:    3 16:59:02       -0.172851         0.077730
BFGS:    4 16:59:02       -0.182362         0.046847
BFGS:    5 16:59:02       -0.185689         0.007369
BFGS:    6 16:59:02       -0.185735         0.001880
BFGS:    7 16:59:02       -0.185738         0.000697
BFGS:    8 16:59:02       -0.185738         0.000729
BFGS:    9 16:59:02       -0.185738         0.000795
BFGS:   10 16:59:02       -0.185738         0.000795
BFGS:   11 16:59:02       -0.185738         0.000633
BFGS:   12 16:59:02       -0.185738         0.000306
BFGS:   13 16:59:02       -0.185738         0.000089
BFGS:   14 16:59:02       -0.185738         0.000015
BFGS:   15 16:59:02       -0.185738         0.000002
BFGS:   16 16:59:02       -0.185738         0.000000
BFGS:   17 16:59:02       -0.185738         0.000000
Minimization converged after 17 steps.
Maximum force component: 7.1547440870700855e-34 eV/Angstrom
Maximum stress component: 5.084282651688419e-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([[3.7149555246914643, 6.582360248883094e-17, -1.5660690037886267e-37], [-1.8574777623457321, 3.2172458583121553, 2.7273296913011454e-37], [4.454477996479172e-37, 1.4335156069147705e-36, 6.062858934728849]])
forces =  [[ 7.15474409e-34 -4.13079342e-34 -5.51252341e-71]
 [-7.15474409e-34  4.13079342e-34  5.51252341e-71]]
stress =  [ 5.08428265e-11  5.08428265e-11  4.16360962e-11 -1.97473474e-35
 -1.14011364e-35 -1.29167254e-27]
energy per atom =  -0.09286914608877125
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0