element(s):
['Ti']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.397']
model name:
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.397, 0, 0], [0, 3.397, 0], [0, 0, 3.397]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 22:16:13       -9.455633         1.122712
BFGS:    1 22:16:14       -9.504271         0.895727
BFGS:    2 22:16:14       -9.578123         0.053113
BFGS:    3 22:16:14       -9.578339         0.007466
BFGS:    4 22:16:14       -9.578344         0.000051
BFGS:    5 22:16:15       -9.578344         0.000000
BFGS:    6 22:16:15       -9.578344         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7516494274214896e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.280135276090015, -1.9647665766791426e-34, 1.7778216783241977e-32], [-4.3141099567445646e-33, 3.2801352760900158, -1.858194860424971e-17], [9.499364318528036e-33, -1.8581948604249694e-17, 3.280135276090015]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.75164943e-14 -1.75164943e-14 -1.75164943e-14  2.26820578e-30
 -9.54675339e-34 -1.42418839e-49]
energy per atom =  -4.78917183877025
===============================================