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 18:00:45       -0.112228         0.075337
BFGS:    1 18:00:46       -0.112471         0.075318
BFGS:    2 18:00:46       -0.123544         0.071209
BFGS:    3 18:00:46       -0.133373         0.057940
BFGS:    4 18:00:46       -0.140164         0.029439
BFGS:    5 18:00:46       -0.140991         0.024060
BFGS:    6 18:00:46       -0.141610         0.004020
BFGS:    7 18:00:46       -0.141630         0.000550
BFGS:    8 18:00:46       -0.141630         0.000267
BFGS:    9 18:00:46       -0.141630         0.000258
BFGS:   10 18:00:46       -0.141631         0.000167
BFGS:   11 18:00:46       -0.141631         0.000172
BFGS:   12 18:00:46       -0.141631         0.000117
BFGS:   13 18:00:46       -0.141631         0.000043
BFGS:   14 18:00:46       -0.141631         0.000013
BFGS:   15 18:00:46       -0.141631         0.000001
BFGS:   16 18:00:46       -0.141631         0.000000
BFGS:   17 18:00:46       -0.141631         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.2913032370608197e-33 eV/Angstrom
Maximum stress component: 5.148187750780705e-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([[3.742230553231673, 5.223360677667861e-17, 2.8394989272642057e-37], [-1.8711152766158365, 3.2408667259169217, 2.575528919023501e-37], [8.128546941043865e-37, -2.233693732117941e-37, 6.108079060900862]])
forces =  [[ 1.29130324e-33 -9.88266360e-34 -2.38511375e-71]
 [-1.29130324e-33  9.88266360e-34  2.38511375e-71]]
stress =  [-5.14818775e-11 -5.14818775e-11 -3.94195835e-11  1.21614309e-35
 -1.40428108e-36  1.44960915e-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