element(s):
['Ni', 'Ti']
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:
['3.0337']
model name:
MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.0337, 0, 0], [0, 3.0337, 0], [0, 0, 3.0337]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:33:56       -9.897388         0.216779
BFGS:    1 12:33:56       -9.899158         0.164158
BFGS:    2 12:33:56       -9.901479         0.005397
BFGS:    3 12:33:56       -9.901481         0.000128
BFGS:    4 12:33:56       -9.901481         0.000000
BFGS:    5 12:33:56       -9.901481         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2505448660566894e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0148039653952607, 4.721021014077625e-33, 8.315415077124984e-34], [-1.3609811659522991e-33, 3.0148039653952607, -7.187570995944261e-21], [-1.2872703649263542e-33, -7.187570995942853e-21, 3.0148039653952607]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.25054487e-13 -1.25054487e-13 -1.25054487e-13 -2.49499872e-31
 -1.13011088e-34  6.31403938e-53]
energy per atom =  -4.950740633821381
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0