element(s):
['Ar']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7835']
model name:
LJ_Shifted_Bernardes_1958LowCutoff_Ar__MO_720819638419_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ar']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.7835, 0, 0], [0, 5.7835, 0], [0, 0, 5.7835]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:46:44       -0.258918        0.0825
BFGS:    1 16:46:44       -0.259209        0.0825
BFGS:    2 16:46:44       -0.271463        0.0806
BFGS:    3 16:46:44       -0.283300        0.0768
BFGS:    4 16:46:44       -0.294390        0.0706
BFGS:    5 16:46:44       -0.304310        0.0611
BFGS:    6 16:46:44       -0.312510        0.0475
BFGS:    7 16:46:44       -0.318290        0.0286
BFGS:    8 16:46:44       -0.320852        0.0039
BFGS:    9 16:46:44       -0.320888        0.0009
BFGS:   10 16:46:44       -0.320890        0.0000
BFGS:   11 16:46:44       -0.320890        0.0000
BFGS:   12 16:46:44       -0.320890        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2853099226872723e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar', 'Ar', 'Ar']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.38846065e-34]]
cellpar =  Cell([[5.266347625378899, -3.808921467970164e-32, -8.347554197489816e-33], [-1.8394742303223825e-32, 5.266347625378899, -9.178277303174885e-18], [-5.4545196036108185e-34, -9.178277303174913e-18, 5.266347625378899]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.28530992e-13 -1.28530992e-13 -1.28530992e-13 -1.34010658e-29
  1.44670573e-37  1.07737837e-53]
energy per atom =  -0.08022257030270809
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0