element(s):
['Mn', 'Ni']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6143']
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.  0.5 0.5]]
spacegroup =  221
cell =  [[3.6143, 0, 0], [0, 3.6143, 0], [0, 0, 3.6143]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:48:56      -50.195056         7.171741
BFGS:    1 16:48:56      -51.099175         4.733923
BFGS:    2 16:48:56      -51.572925         1.427656
BFGS:    3 16:48:56      -51.610251         0.309091
BFGS:    4 16:48:56      -51.611939         0.015085
BFGS:    5 16:48:56      -51.611943         0.000149
BFGS:    6 16:48:56      -51.611943         0.000000
BFGS:    7 16:48:56      -51.611943         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.889536886278019e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.80248472e-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([[3.5077429326667087, 4.012269370041615e-34, -1.306775080747023e-32], [-2.6816144504113857e-32, 3.5077429326667087, 1.1003629121027809e-17], [1.077609517993299e-32, 1.1003629121027789e-17, 3.5077429326667087]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [3.88953689e-14 3.88953689e-14 3.88953689e-14 7.03475021e-31
 2.67136773e-33 3.34153593e-50]
energy per atom =  -12.902985765896599
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0