element(s):
['Cr']
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:
['3.6528']
model name:
Sim_LAMMPS_ADP_HowellsMishin_2018_Cr__SM_884076133432_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.6528, 0, 0], [0, 3.6528, 0], [0, 0, 3.6528]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:51:41      -15.892020        0.5789
BFGS:    1 16:51:41      -15.906061        0.5541
BFGS:    2 16:51:41      -15.983172        0.4915
BFGS:    3 16:51:41      -16.045352        0.2677
BFGS:    4 16:51:41      -16.037929        0.4549
BFGS:    5 16:51:41      -16.054932        0.0635
BFGS:    6 16:51:41      -16.055366        0.0109
BFGS:    7 16:51:41      -16.055378        0.0004
BFGS:    8 16:51:41      -16.055378        0.0000
BFGS:    9 16:51:41      -16.055378        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.518275914481063e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.53393754e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.772812039316016, -8.664302881883245e-33, -1.3374620448629045e-33], [-1.8961191238688285e-33, 3.772812039316016, 1.3116749136299866e-17], [1.0011330243628897e-33, 1.3116749136299874e-17, 3.772812039316016]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.51827591e-11 -4.51827591e-11 -4.51827591e-11  1.21174097e-28
 -2.52567182e-34 -2.87640178e-51]
energy per atom =  -4.0138445635061615
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0