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:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cr__MO_483480726117_004
==== 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      -14.740943        0.1812
BFGS:    1 16:51:41      -14.742242        0.1533
BFGS:    2 16:51:41      -14.745456        0.0042
BFGS:    3 16:51:41      -14.745458        0.0001
BFGS:    4 16:51:41      -14.745458        0.0000
BFGS:    5 16:51:41      -14.745458        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.132437279597536e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.05800814e-49 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([[3.6377614253426658, -1.4138232344376889e-34, 6.994559035801287e-33], [5.60411933912722e-34, 3.6377614253426658, -5.590122951128222e-20], [9.780750879785031e-33, -5.590122951129251e-20, 3.6377614253426658]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.13243728e-14 -6.13243728e-14 -6.13243728e-14  1.35314152e-29
  7.76194903e-35 -8.45670875e-51]
energy per atom =  -3.6863645034210277
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0