element(s):
['C', 'Nb']
AFLOW prototype label:
AB_hP4_194_c_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7285', '1.193429']
model name:
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Nb']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.75      ]]
spacegroup =  194
cell =  [[3.7285, 0, 0], [-1.86425, 3.2289757180103, 0], [0, 0, 4.4497]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:53:28      -21.378968        4.6415
BFGS:    1 15:53:28      -22.031961        4.3188
BFGS:    2 15:53:28      -22.652839        3.9950
BFGS:    3 15:53:28      -23.211630        3.6254
BFGS:    4 15:53:28      -23.696788        3.1721
BFGS:    5 15:53:28      -24.096940        2.6262
BFGS:    6 15:53:28      -24.400337        1.9739
BFGS:    7 15:53:28      -24.597138        1.2094
BFGS:    8 15:53:28      -24.680536        0.3279
BFGS:    9 15:53:28      -24.685949        0.3934
BFGS:   10 15:53:29      -24.689117        0.3602
BFGS:   11 15:53:29      -24.694631        0.1431
BFGS:   12 15:53:29      -24.695430        0.0330
BFGS:   13 15:53:29      -24.695493        0.0023
BFGS:   14 15:53:29      -24.695493        0.0001
BFGS:   15 15:53:29      -24.695493        0.0000
BFGS:   16 15:53:29      -24.695493        0.0000
BFGS:   17 15:53:29      -24.695493        0.0000
Minimization converged after 17 steps.
Maximum force component: 3.0774144050243857e-31 eV/Angstrom
Maximum stress component: 3.3543829616411747e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Nb', 'Nb']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]
 [0.33333333 0.66666667 0.75      ]
 [0.66666666 0.33333334 0.25      ]]
cellpar =  Cell([[3.3289269057537383, 3.1585292067177286e-17, 5.914794039319283e-37], [-1.6644634528768691, 2.882935267724265, -2.765198138051136e-35], [6.121504782533783e-36, 1.1375347529726025e-35, 4.11165144987743]])
forces =  [[ 2.66709248e-31 -8.29148150e-32  6.75733559e-32]
 [-2.73547947e-31  9.47597885e-32 -6.75733559e-32]
 [-3.00902742e-31  1.42139683e-31  1.01360034e-31]
 [ 3.07741441e-31 -1.53984656e-31  1.51584318e-66]]
stress =  [ 3.35438296e-10  3.35438296e-10  1.21452408e-10 -6.93231068e-33
 -1.20071143e-33 -6.89427587e-26]
energy per atom =  -6.1738732864821095
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0