element(s):
['Mn', 'Ni']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9926']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mn', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.9926, 0, 0], [0, 2.9926, 0], [0, 0, 2.9926]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:20:52      -17.424500        5.6042
BFGS:    1 15:20:52      -18.020975        1.9906
BFGS:    2 15:20:52      -18.063692        1.1126
BFGS:    3 15:20:52      -18.078238        0.1089
BFGS:    4 15:20:52      -18.078388        0.0052
BFGS:    5 15:20:52      -18.078389        0.0000
BFGS:    6 15:20:52      -18.078389        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.048874207993736e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.889965672120281, -3.617538320812084e-33, -4.921907896989807e-33], [-6.1271294643728175e-33, 2.889965672120281, -2.103889385460892e-18], [3.429379795524054e-33, -2.1038893854608957e-18, 2.889965672120281]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [5.04887421e-10 5.04887421e-10 5.04887421e-10 1.27405685e-26
 1.32418464e-58 1.32254036e-58]
energy per atom =  -9.039194358470388
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0