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Job eeaf7d9b-f376-44ca-ad86-9e4c409dbc20

Job Information

Name
NbN
MLP
MatterSim-v1.0.0-5M
Space group
P-6m2 (187)
Materials Project
mp-aaaaadxi
Status
Completed
Worker
sc046-949877
Created
20260810 12:02:59
Updated
20260919 20:52:02

Melting Temperature

uMLIP: 2998 +/- 107 K
PBE-corrected MT: 2555 ± 125 K
R2SCAN-corrected MT: 2791 ± 133 K
Reported uncertainties are propagated standard errors from the solid/liquid enthalpy sampling and the uncorrected melting-temperature uncertainty.
The fit figure below shows the trajectory counts at each temperature and the MPFit result.

Melting Temperature Fit

Download MPFit Figure
MPFit
SLUSCHI Output
Download SLUSCHI.out 
=======================================================================================================
Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces (SLUSCHI)
Developed and maintained by Qi-Jun Hong, with early research support from Axel van de Walle (2014-2020)
=======================================================================================================
Generating solid with radius = 11
*** Generate a supercell from the current unitcell ***
The supercell is:
   0.0000000000000000        0.0000000000000000       -11.598699480000001     
   7.4301159199999995        7.7216061199999997        0.0000000000000000     
   7.4301215300000010       -7.7216057199999995        0.0000000000000000     
|a|,|b|,|c|,theta(bc),theta(ac),theta(ab):
    11.599    10.716    10.716    92.204    90.000    90.000
In UNIT-cell, number of atoms:    1    1 total:     2
Inverse Matrix is:
   0.0000000000000000        6.7293673971450738E-002   6.7293677457444537E-002
   0.0000000000000000        6.4753393780908663E-002  -6.4753344889845757E-002
  -8.6216562617587533E-002   0.0000000000000000        0.0000000000000000     
In SUPER-cell, number of atoms:   60   60 total:  120
POSCAR_STRCT atoms = 120
Accepted radius = 11 with 120 atoms
====================================================================================================
/data/qhong7/qhong7/sluschi_auto/eeaf7d9b-f376-44ca-ad86-9e4c409dbc20/NbN/Dir_lammps
['Nb', 'N']
elements: ['Nb', 'N']
counts: [60, 60]
solid atom IDs: 1:120
liquid atom IDs: 121:240
Original Tm = 1000.0
New temp      = 500
New temp_end  = 2000
500, 2000, 1
Adaptive temp step = 500
500
Start running job (temp, id) 500 1000 ...
Using closest available scale or default: 1.0
==============================
Iteration 1
Current scale = 1.0
Pressure = -11474.051290
Step reduced to 0.005
New scale = 0.995
==============================
Iteration 2
Current scale = 0.995
Pressure = 25549.742400
Step reduced to 0.0025
New scale = 0.9974999999999999
==============================
Iteration 3
Current scale = 0.9974999999999999
Pressure = 6642.639000
New scale = 0.9999999999999999
==============================
Iteration 4
Current scale = 0.9999999999999999
Pressure = -11474.041990
Step reduced to 0.00125
New scale = 0.9987499999999999
==============================
Iteration 5
Current scale = 0.9987499999999999
Pressure = -2486.302669
Converged!
Now running full trajectory...
Completed!
==============================
1000
Start running job (temp, id) 1000 1000 ...
Using closest available scale or default: 0.9987499999999999
==============================
Iteration 1
Current scale = 0.9987499999999999
Pressure = 23736.928200
New scale = 1.0087499999999998
==============================
Iteration 2
Current scale = 1.0087499999999998
Pressure = -51977.505500
Step reduced to 0.005
New scale = 1.00375
==============================
Iteration 3
Current scale = 1.00375
Pressure = -14703.548870
New scale = 0.9987499999999999
==============================
Iteration 4
Current scale = 0.9987499999999999
Pressure = 23737.195900
Step reduced to 0.0025
New scale = 1.00125
==============================
Iteration 5
Current scale = 1.00125
Pressure = 4403.517484
Converged!
Now running full trajectory...
Completed!
==============================
1500
Start running job (temp, id) 1500 1000 ...
Using closest available scale or default: 1.00125
==============================
Iteration 1
Current scale = 1.00125
Pressure = 41130.171300
New scale = 1.01125
==============================
Iteration 2
Current scale = 1.01125
Pressure = -33626.185600
Step reduced to 0.005
New scale = 1.00625
==============================
Iteration 3
Current scale = 1.00625
Pressure = 7659.914290
Step reduced to 0.0025
New scale = 1.00875
==============================
Iteration 4
Current scale = 1.00875
Pressure = -13397.344450
Step reduced to 0.00125
New scale = 1.0075
==============================
Iteration 5
Current scale = 1.0075
Pressure = -2411.941400
Converged!
Now running full trajectory...
Completed!
==============================
2000
Start running job (temp, id) 2000 1000 ...
Using closest available scale or default: 1.0075
==============================
Iteration 1
Current scale = 1.0075
Pressure = 160412.163000
New scale = 1.0175
==============================
Iteration 2
Current scale = 1.0175
Pressure = 89899.109000
New scale = 1.0275
==============================
Iteration 3
Current scale = 1.0275
Pressure = 41437.100400
New scale = 1.0375
==============================
Iteration 4
Current scale = 1.0375
Pressure = 6292.037586
New scale = 1.0475
==============================
Iteration 5
Current scale = 1.0475
Pressure = -47607.127300
Step reduced to 0.005
New scale = 1.0425000000000002
Now running full trajectory...
Completed!
==============================
500, 500, 1
Adaptive temp step = 100
500
Wrote /data/qhong7/qhong7/sluschi_auto/eeaf7d9b-f376-44ca-ad86-9e4c409dbc20/NbN/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/eeaf7d9b-f376-44ca-ad86-9e4c409dbc20/NbN/Dir_lammps/summary.out
Collected 4 folders
Wrote phase_pred.csv
Label counts:
solid = 4
liquid = 0
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2044.93 K
Uncertainty = 6618.26 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2044.9288524999999 6624.4041916077749
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
=== Find next job to run ===
next job: 1 MD duplicate(s) at 2800.0 K
2800, 2800, 1
Adaptive temp step = 100
2800
Start running job (temp, id) 2800 1000 ...
Using closest available scale or default: 1.0425000000000002
==============================
Iteration 1
Current scale = 1.0425000000000002
Pressure = 27003.694700
New scale = 1.0525000000000002
==============================
Iteration 2
Current scale = 1.0525000000000002
Pressure = 3740.791760
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /data/qhong7/qhong7/sluschi_auto/eeaf7d9b-f376-44ca-ad86-9e4c409dbc20/NbN/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/eeaf7d9b-f376-44ca-ad86-9e4c409dbc20/NbN/Dir_lammps/summary.out
Collected 5 folders
Wrote phase_pred.csv
Label counts:
solid = 5
liquid = 0
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2800 |        1 |        0 |        1
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2859.99 K
Uncertainty = 9728.68 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2859.9890240000004 9733.6869349952285
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 1 0 1
=== Find next job to run ===
next job: 1 MD duplicate(s) at 3600.0 K
3600, 3600, 1
Adaptive temp step = 100
3600
Start running job (temp, id) 3600 1000 ...
Using closest available scale or default: 1.0525000000000002
==============================
Iteration 1
Current scale = 1.0525000000000002
Pressure = 39829.563600
New scale = 1.0625000000000002
==============================
Iteration 2
Current scale = 1.0625000000000002
Pressure = -1300.271510
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /data/qhong7/qhong7/sluschi_auto/eeaf7d9b-f376-44ca-ad86-9e4c409dbc20/NbN/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/eeaf7d9b-f376-44ca-ad86-9e4c409dbc20/NbN/Dir_lammps/summary.out
Collected 6 folders
Wrote phase_pred.csv
Label counts:
solid = 5
liquid = 1
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2800 |        1 |        0 |        1
    3600 |        0 |        1 |        1
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2891.45 K
Uncertainty = 14312.89 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2891.4451080000003 14291.511168442727
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 1 0 1
3600 0 1 1
=== Find next job to run ===
next job: 1 MD duplicate(s) at 3200.0000000000000 K
3200, 3200, 1
Adaptive temp step = 100
3200
Start running job (temp, id) 3200 1000 ...
Using closest available scale or default: 1.0525000000000002
==============================
Iteration 1
Current scale = 1.0525000000000002
Pressure = 20262.947200
New scale = 1.0625000000000002
==============================
Iteration 2
Current scale = 1.0625000000000002
Pressure = -6040.665100
Step reduced to 0.005
New scale = 1.0575000000000003
==============================
Iteration 3
Current scale = 1.0575000000000003
Pressure = -7309.254037
New scale = 1.0525000000000004
==============================
Iteration 4
Current scale = 1.0525000000000004
Pressure = 12468.289820
Step reduced to 0.0025
New scale = 1.0550000000000004
==============================
Iteration 5
Current scale = 1.0550000000000004
Pressure = 5181.037040
New scale = 1.0575000000000003
Now running full trajectory...
Completed!
==============================
Wrote /data/qhong7/qhong7/sluschi_auto/eeaf7d9b-f376-44ca-ad86-9e4c409dbc20/NbN/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/eeaf7d9b-f376-44ca-ad86-9e4c409dbc20/NbN/Dir_lammps/summary.out
Collected 7 folders
/A
LIQUID (PBE present only):
  lammps_poteng_eV_per_atom = N/A
  PBE_energy_eV_per_atom = N/A
DH_LMP_raw_PBE = N/A
DH_LMP_PBE = N/A
DH_PBE = N/A
MT_PBE = N/A

=== R2SCAN correction ===
N rows with R2SCAN energy = 0
MT_LMP = 2891.4451080000003
STD_LMP = 14291.511168442727
SOLID (R2SCAN present only):
  lammps_poteng_eV_per_atom = N/A
  R2SCAN_energy_eV_per_atom = N/A
LIQUID (R2SCAN present only):
  lammps_poteng_eV_per_atom = N/A
  R2SCAN_energy_eV_per_atom = N/A
DH_LMP_raw_R2SCAN = N/A
DH_LMP_R2SCAN = N/A
DH_R2SCAN = N/A
MT_R2SCAN = N/A
=== DFT corrections end ===
Wrote phase_pred.csv
Label counts:
solid = 5
liquid = 2
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2800 |        1 |        0 |        1
    3200 |        0 |        1 |        1
    3600 |        0 |        1 |        1
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2889.21 K
Uncertainty = 14397.22 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2889.2136659999996 14369.041077559665
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 1 0 1
3200 0 1 1
3600 0 1 1
=== Find next job to run ===
next job: 4 MD duplicate(s) at 2800.0000000000000 K
next job: 4 MD duplicate(s) at 3200.0000000000000 K
2800, 2800, 4
Adaptive temp step = 100
2800
Start running job (temp, id) 2800 1100 ...
Using scale from current temperature folder: 1.0525000000000002
==============================
Iteration 1
Current scale = 1.0525000000000002
Pressure = -10163.575652
Step reduced to 0.005
New scale = 1.0475000000000003
==============================
Iteration 2
Current scale = 1.0475000000000003
Pressure = 7632.747530
Step reduced to 0.0025
New scale = 1.0500000000000003
==============================
Iteration 3
Current scale = 1.0500000000000003

=== DFT corrections begin ===
=== PBE correction ===
N rows with PBE energy = 8
MT_LMP = 2997.21180563066
STD_LMP = 106.8308297282154
SOLID (PBE present only):
  lammps_poteng_eV_per_atom = -9.63370292
  PBE_energy_eV_per_atom = -9.82668835
  N_solid_PBE = 4
  SEM_lammps_solid_PBE = 7.46864849e-03 eV/atom
  SEM_PBE_solid = 7.89634747e-03 eV/atom
LIQUID (PBE present only):
  lammps_poteng_eV_per_atom = -9.42458167
  PBE_energy_eV_per_atom = -9.64841368
  N_liquid_PBE = 4
  SEM_lammps_liquid_PBE = 1.44923822e-02 eV/atom
  SEM_PBE_liquid = 1.60570841e-02 eV/atom
DH_LMP_raw_PBE = 0.20912125 eV/atom
DH_LMP_PBE = 0.20912125 eV/atom
DH_PBE = 0.17827468 eV/atom
STD_DH_LMP_PBE = 1.63036761e-02 eV/atom
STD_DH_PBE = 1.78936372e-02 eV/atom
COV_DH_PBE_LMP = 2.80237563e-04 (eV/atom)^2
DH_raw_PBE = 0.17827468 eV/atom
MT_PBE = 2555.10603516 K
STD_PBE = 124.89290363 K

=== R2SCAN correction ===
N rows with R2SCAN energy = 8
MT_LMP = 2997.21180563066
STD_LMP = 106.8308297282154
SOLID (R2SCAN present only):
  lammps_poteng_eV_per_atom = -9.63370292
  R2SCAN_energy_eV_per_atom = -17.67054363
  N_solid_R2SCAN = 4
  SEM_lammps_solid_R2SCAN = 7.46864849e-03 eV/atom
  SEM_R2SCAN_solid = 8.51441319e-03 eV/atom
LIQUID (R2SCAN present only):
  lammps_poteng_eV_per_atom = -9.42458167
  R2SCAN_energy_eV_per_atom = -17.47580828
  N_liquid_R2SCAN = 4
  SEM_lammps_liquid_R2SCAN = 1.44923822e-02 eV/atom
  SEM_R2SCAN_liquid = 1.67483298e-02 eV/atom
DH_LMP_raw_R2SCAN = 0.20912125 eV/atom
DH_LMP_R2SCAN = 0.20912125 eV/atom
DH_R2SCAN = 0.19473535 eV/atom
STD_DH_LMP_R2SCAN = 1.63036761e-02 eV/atom
STD_DH_R2SCAN = 1.87883417e-02 eV/atom
COV_DH_R2SCAN_LMP = 2.93096547e-04 (eV/atom)^2
DH_raw_R2SCAN = 0.19473535 eV/atom
MT_R2SCAN = 2791.02711930 K
STD_R2SCAN = 132.76531180 K
=== DFT corrections end ===
Pressure = 9645.230690
New scale = 1.0525000000000002
==============================
Iteration 4
Current scale = 1.0525000000000002
Pressure = -4526.881140
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2800 1200 ...
Using scale from current temperature folder: 1.0525000000000002
==============================
Iteration 1
Current scale = 1.0525000000000002
Pressure = -16854.717620
Step reduced to 0.005
New scale = 1.0475000000000003
==============================
Iteration 2
Current scale = 1.0475000000000003
Pressure = 11914.219660
Step reduced to 0.0025
New scale = 1.0500000000000003
==============================
Iteration 3
Current scale = 1.0500000000000003
Pressure = -8107.644310
Step reduced to 0.00125
New scale = 1.0487500000000003
==============================
Iteration 4
Current scale = 1.0487500000000003
Pressure = 4710.159450
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2800 1300 ...
Using scale from current temperature folder: 1.0487500000000003
==============================
Iteration 1
Current scale = 1.0487500000000003
Pressure = 15363.538252
New scale = 1.0587500000000003
==============================
Iteration 2
Current scale = 1.0587500000000003
Pressure = -15743.078130
Step reduced to 0.005
New scale = 1.0537500000000004
==============================
Iteration 3
Current scale = 1.0537500000000004
Pressure = -11953.684460
New scale = 1.0487500000000005
==============================
Iteration 4
Current scale = 1.0487500000000005
Pressure = 4695.125960
Converged!
Now running full trajectory...
Completed!
==============================
3200, 3200, 4
Adaptive temp step = 100
3200
Start running job (temp, id) 3200 1100 ...
Using scale from current temperature folder: 1.0575000000000003
==============================
Iteration 1
Current scale = 1.0575000000000003
Pressure = 1369.173090
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 3200 1200 ...
Using scale from current temperature folder: 1.0575000000000003
==============================
Iteration 1
Current scale = 1.0575000000000003
Pressure = -976.455740
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 3200 1300 ...
Using scale from current temperature folder: 1.0575000000000003
==============================
Iteration 1
Current scale = 1.0575000000000003
Pressure = -5760.852650
Step reduced to 0.005
New scale = 1.0525000000000004
==============================
Iteration 2
Current scale = 1.0525000000000004
Pressure = 18013.541920
Step reduced to 0.0025
New scale = 1.0550000000000004
==============================
Iteration 3
Current scale = 1.0550000000000004
Pressure = 12731.607400
New scale = 1.0575000000000003
==============================
Iteration 4
Current scale = 1.0575000000000003
Pressure = -1762.249937
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /data/qhong7/qhong7/sluschi_auto/eeaf7d9b-f376-44ca-ad86-9e4c409dbc20/NbN/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/eeaf7d9b-f376-44ca-ad86-9e4c409dbc20/NbN/Dir_lammps/summary.out
Collected 13 folders
Wrote phase_pred.csv
Label counts:
solid = 8
liquid = 5
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2800 |        4 |        0 |        4
    3200 |        0 |        4 |        4
    3600 |        0 |        1 |        1
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2997.92 K
Uncertainty = 106.67 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2997.8648122443183 106.59185648015234
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 4 0 4
3200 0 4 4
3600 0 1 1
 current fit
           1   2997.8648122443183        106.59185648015234     
 possibilities:
 current fit
           0   2997.8648122443183        106.59185648015234     
 possibilities:
MP accuracy achieved. Stopping code...
summary.out
======================================================================================================================================================
folder  poteng [eV/atom]  kineng [eV/atom]  temp [K]     volume [Ang^3/atom]  press [bar]    energy_slope  energy_dir  diffusion [cm^2/s]  spg   
------  ----------------  ----------------  -----------  -------------------  -------------  ------------  ----------  ------------------  ------
1000/1  -10.144069        0.127938          993.913933   11.340898            -629.335394    -0.00000009   down        5.540e-09           Pm (6)
1500/1  -10.072378        0.194193          1508.626135  11.507639            -11455.545845  0.00000077    up          1.310e-08           Pm (6)
2000/1  -9.833136         0.260146          2020.998855  12.567823            1987.670946    -0.00000887   down        1.090e-06           P1 (1)
2800/1  -9.663062         0.363677          2825.300655  12.988357            3875.140291    -0.00001604   down        2.100e-06           P1 (1)
2800/2  -9.642210         0.361147          2805.644775  12.964863            9454.523280    -0.00000894   down        8.290e-07           P1 (1)
2800/3  -9.600874         0.361546          2808.747495  13.124819            2113.386492    -0.00000339   down        2.620e-06           P1 (1)
2800/4  -9.640478         0.357136          2774.485715  13.032630            -3324.817509   -0.00000567   down        6.930e-07           P1 (1)
3200/1  -9.426133         0.402780          3129.083200  13.670205            5801.433226    0.00000965    up          3.970e-05           P1 (1)
3200/2  -9.436016         0.408821          3176.007220  13.746053            -1350.667575   0.00000320    up          1.060e-05           P1 (1)
3200/3  -9.430735         0.406645          3159.102465  13.769493            2632.237055    0.00000535    up          2.500e-05           P1 (1)
3200/4  -9.459356         0.412324          3203.223375  13.736861            -1618.011002   -0.00000066   down        9.840e-06           P1 (1)
3600/1  -9.179271         0.455504          3538.675675  14.817608            7191.742809    0.00001756    up          7.880e-05           P1 (1)
500/1   -10.212280        0.064295          499.490265   11.224241            -144.372781    -0.00000013   down        8.250e-11           Cm (8)
======================================================================================================================================================
Wrote /data/qhong7/qhong7/sluschi_auto/eeaf7d9b-f376-44ca-ad86-9e4c409dbc20/NbN/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/eeaf7d9b-f376-44ca-ad86-9e4c409dbc20/NbN/Dir_lammps/summary.out
Collected 13 folders
Wrote phase_pred.csv
Label counts:
solid = 8
liquid = 5
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2800 |        4 |        0 |        4
    3200 |        0 |        4 |        4
    3600 |        0 |        1 |        1
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2997.21 K
Uncertainty = 106.83 K
====================================
Wrote /data/qhong7/qhong7/sluschi_auto/eeaf7d9b-f376-44ca-ad86-9e4c409dbc20/NbN/Dir_lammps/cost_table.out
Collected 60 log files

====================================
Computational cost summary:
Number of trajectories (temp/id) = 13
Total log files (incl. subruns)  = 60
Total wall time                 = 1:57:34
Total seconds                  = 7054
Total GPU hours                = 1.96
====================================
Submitted POSCAR 
Nb1 N1
1.0
   2.9720474900000000    0.0000000800000000    0.0000000000000000
  -1.4860246800000001    2.5738686000000000    0.0000000000000000
   0.0000000000000000    0.0000000000000000    2.8996748700000001
Nb N
1 1
direct
   0.3333330500000000    0.6666669400000000    0.5000000000000000 Nb
  -0.0000000500000000    0.0000000600000000   -0.0000000000000000 N

Returned Output Files

No output files have been received yet.