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Job 9c1f5f87-9677-4b44-af28-fc3e9bbef27c

Job Information

Name
Ta
MLP
mace-mpa-0-medium
Space group
P4_2/mnm (136)
Materials Project
Status
Completed
Worker
dt-login04.delta.ncsa.illinois.edu-816486
Created
20260706 09:24:31
Updated
20260813 15:44:18

Melting Temperature

uMLIP: 2720 +/- 110 K
PBE Correction: 2485 K
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:
  -3.2000000000000001E-007  -1.1999999999999999E-007  -10.606063000000001     
  -1.1310000000000000E-005   10.224399160000001       -8.8000000000000004E-007
   10.224412870000000       -1.1300000000000000E-005   2.9999999999999999E-007
|a|,|b|,|c|,theta(bc),theta(ac),theta(ab):
    10.606    10.224    10.224    90.000    90.000    90.000
In UNIT-cell, number of atoms:   30 total:    30
Inverse Matrix is:
   2.7664782869147422E-009   1.0809416954153429E-007   9.7805127073396766E-002
  -8.1150371045105617E-009   9.7805258221278349E-002   1.0818982781217111E-007
  -9.4285693004086429E-002  -1.1065996474552014E-009  -2.9509209634400913E-009
In SUPER-cell, number of atoms:   60 total:   60
POSCAR_STRCT atoms = 60
Accepted radius = 11 with 60 atoms
====================================================================================================
/projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/Dir_lammps
['Ta']
elements: ['Ta']
counts: [60]
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 = -10415.040900
Step reduced to 0.005
New scale = 0.995
==============================
Iteration 2
Current scale = 0.995
Pressure = 13475.546260
Step reduced to 0.0025
New scale = 0.9974999999999999
==============================
Iteration 3
Current scale = 0.9974999999999999
Pressure = 1320.190374
Converged!
Now running full trajectory...
Completed!
==============================
1000
Start running job (temp, id) 1000 1000 ...
Using closest available scale or default: 0.9974999999999999
==============================
Iteration 1
Current scale = 0.9974999999999999
Pressure = 18561.788200
New scale = 1.0074999999999998
==============================
Iteration 2
Current scale = 1.0074999999999998
Pressure = -31631.717300
Step reduced to 0.005
New scale = 1.0025
==============================
Iteration 3
Current scale = 1.0025
Pressure = -7416.529850
New scale = 0.9974999999999999
==============================
Iteration 4
Current scale = 0.9974999999999999
Pressure = 18561.788200
Step reduced to 0.0025
New scale = 0.9999999999999999
==============================
Iteration 5
Current scale = 0.9999999999999999
Pressure = 5362.926650
New scale = 1.0025
Now running full trajectory...
Completed!
==============================
1500
Start running job (temp, id) 1500 1000 ...
Using closest available scale or default: 1.0025
==============================
Iteration 1
Current scale = 1.0025
Pressure = 25770.750300
New scale = 1.0125
==============================
Iteration 2
Current scale = 1.0125
Pressure = -20409.566730
Step reduced to 0.005
New scale = 1.0075
==============================
Iteration 3
Current scale = 1.0075
Pressure = 1695.000950
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 = 25050.087100
New scale = 1.0175
==============================
Iteration 2
Current scale = 1.0175
Pressure = -19523.181400
Step reduced to 0.005
New scale = 1.0125000000000002
==============================
Iteration 3
Current scale = 1.0125000000000002
Pressure = 2160.879002
Converged!
Now running full trajectory...
Completed!
==============================
500, 500, 1
Adaptive temp step = 100
500
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/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 = 6633.98 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2044.9288524999999 6631.2170451383499
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: 1.0125000000000002
==============================
Iteration 1
Current scale = 1.0125000000000002
Pressure = 37983.951400
New scale = 1.0225000000000002
==============================
Iteration 2
Current scale = 1.0225000000000002
Pressure = -1458.649122
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/Dir_lammps/summary.out
Collected 5 folders
Wrote phase_pred.csv
Label counts:
solid = 4
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 |        0 |        1 |        1
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2050.41 K
Uncertainty = 10853.98 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2050.4090095999995 10801.223651218554
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2800 0 1 1
=== Find next job to run ===
next job: 1 MD duplicate(s) at 2400.0000000000000 K
2400, 2400, 1
Adaptive temp step = 100
2400
Start running job (temp, id) 2400 1000 ...
Using closest available scale or default: 1.0125000000000002
==============================
Iteration 1
Current scale = 1.0125000000000002
Pressure = 15074.117750
New scale = 1.0225000000000002
==============================
Iteration 2
Current scale = 1.0225000000000002
Pressure = -23231.525600
Step reduced to 0.005
New scale = 1.0175000000000003
==============================
Iteration 3
Current scale = 1.0175000000000003
Pressure = -3988.330170
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/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
    2400 |        1 |        0 |        1
    2800 |        0 |        1 |        1
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2452.14 K
Uncertainty = 10437.31 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2452.1437833000000 10431.359684758354
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2400 1 0 1
2800 0 1 1
=== Find next job to run ===
next job: 4 MD duplicate(s) at 2400.0000000000000 K
next job: 4 MD duplicate(s) at 2800.0000000000000 K
2400, 2400, 4
Adaptive temp step = 100
2400
Start running job (temp, id) 2400 1100 ...
Using scale from current temperature folder: 1.0175000000000003
==============================
Iteration 1
Current scale = 1.0175000000000003
Pressure = -2190.757620
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2400 1200 ...
Using scale from current temperature folder: 1.0175000000000003
==============================
Iteration 1
Current scale = 1.0175000000000003
Pressure = 2021.331009
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2400 1300 ...
Using scale from current temperature folder: 1.0175000000000003
==============================
Iteration 1
Current scale = 1.0175000000000003
Pressure = 4581.596391
Converged!
Now running full trajectory...
Completed!
==============================
2800, 2800, 4
Adaptive temp step = 100
2800
Start running job (temp, id) 2800 1100 ...
Using scale from current temperature folder: 1.0225000000000002
==============================
Iteration 1
Current scale = 1.0225000000000002
Pressure = -1484.671797
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2800 1200 ...
Using scale from current temperature folder: 1.0225000000000002
==============================
Iteration 1
Current scale = 1.0225000000000002
Pressure = -7558.473702
Step reduced to 0.005
New scale = 1.0175000000000003
==============================
Iteration 2
Current scale = 1.0175000000000003
Pressure = 12084.751980
Step reduced to 0.0025
New scale = 1.0200000000000002
==============================
Iteration 3
Current scale = 1.0200000000000002
Pressure = 1536.815080
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2800 1300 ...
Using scale from current temperature folder: 1.0200000000000002
==============================
Iteration 1
Current scale = 1.0200000000000002
Pressure = 6734.415970
New scale = 1.0300000000000002
==============================
Iteration 2
Current scale = 1.0300000000000002
Pressure = -28874.837200
Step reduced to 0.005
New scale = 1.0250000000000004
==============================
Iteration 3
Current scale = 1.0250000000000004
Pressure = -11839.023510
New scale = 1.0200000000000005
==============================
Iteration 4
Current scale = 1.0200000000000005
Pressure = 6734.415970
Step reduced to 0.0025
New scale = 1.0225000000000004
==============================
Iteration 5
Current scale = 1.0225000000000004
Pressure = -1088.303283
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/Dir_lammps/summary.out
Collected 12 folders
Wrote phase_pred.csv
Label counts:
solid = 9
liquid = 3
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2400 |        4 |        0 |        4
    2800 |        1 |        3 |        4
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2779.36 K
Uncertainty = 9194.32 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2779.3590520720004 9253.6663049954223
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2400 4 0 4
2800 1 3 4
=== Find next job to run ===
next job: 4 MD duplicate(s) at 2400.0000000000000 K
next job: 4 MD duplicate(s) at 2800.0000000000000 K
next job: 1 MD duplicate(s) at 3200.0000000000000 K
2400, 2400, 4
Adaptive temp step = 100
2400
2800, 2800, 4
Adaptive temp step = 100
2800
3200, 3200, 1
Adaptive temp step = 100
3200
Start running job (temp, id) 3200 1000 ...
Using closest available scale or default: 1.0225000000000004
==============================
Iteration 1
Current scale = 1.0225000000000004
Pressure = -2349.156310
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/Dir_lammps/summary.out
Collected 13 folders
Wrote phase_pred.csv
Label counts:
solid = 9
liquid = 4
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2400 |        4 |        0 |        4
    2800 |        1 |        3 |        4
    3200 |        0 |        1 |        1
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2785.08 K
Uncertainty = 8983.87 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2785.0791247617026 8984.2103161648120
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2400 4 0 4
2800 1 3 4
3200 0 1 1
=== Find next job to run ===
next job: 4 MD duplicate(s) at 2400.0000000000000 K
next job: 4 MD duplicate(s) at 2800.0000000000000 K
next job: 4 MD duplicate(s) at 2800.0000000000000 K
next job: 4 MD duplicate(s) at 3200.0000000000000 K
next job: 4 MD duplicate(s) at 2800.0000000000000 K
next job: 4 MD duplicate(s) at 3200.0000000000000 K
2400, 2400, 4
Adaptive temp step = 100
2400
2800, 2800, 4
Adaptive temp step = 100
2800
2800, 2800, 4
Adaptive temp step = 100
2800
3200, 3200, 4
Adaptive temp step = 100
3200
Start running job (temp, id) 3200 1100 ...
Using scale from current temperature folder: 1.0225000000000004
==============================
Iteration 1
Current scale = 1.0225000000000004
Pressure = 3028.143390
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 3200 1200 ...
Using scale from current temperature folder: 1.0225000000000004
==============================
Iteration 1
Current scale = 1.0225000000000004
Pressure = 10310.208340
New scale = 1.0325000000000004
==============================
Iteration 2
Current scale = 1.0325000000000004
Pressure = -28101.395800
Step reduced to 0.005
New scale = 1.0275000000000005
==============================
Iteration 3
Current scale = 1.0275000000000005
Pressure = -10657.749540
New scale = 1.0225000000000006
==============================
Iteration 4
Current scale = 1.0225000000000006
Pressure = 10310.208330
Step reduced to 0.0025
New scale = 1.0250000000000006
==============================
Iteration 5
Current scale = 1.0250000000000006
Pressure = -1276.969640
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 3200 1300 ...
Using scale from current temperature folder: 1.0250000000000006
==============================
Iteration 1
Current scale = 1.0250000000000006
Pressure = -951.832510
Converged!
Now running full trajectory...
Completed!
==============================
2800, 2800, 4
Adaptive temp step = 100
2800
3200, 3200, 4
Adaptive temp step = 100
3200
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/Dir_lammps/summary.out
Collected 16 folders
Wrote phase_pred.csv
Label counts:
solid = 9
liquid = 7
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2400 |        4 |        0 |        4
    2800 |        1 |        3 |        4
    3200 |        0 |        4 |        4
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2719.29 K
Uncertainty = 110.19 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2719.5568146734222 109.70863560499167
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2400 4 0 4
2800 1 3 4
3200 0 4 4
 current fit
           1   2719.5568146734222        109.70863560499167     
 possibilities:
 current fit
           0   2719.5568146734222        109.70863560499167     
 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  -11.688142        0.126384          985.961728   19.116773            734.207019     0.00000101    up          1.280e-08              
1500/1  -11.616988        0.191271          1492.174085  19.382706            -5824.644522   0.00000053    up          4.580e-08              
2000/1  -11.546196        0.254886          1988.457940  19.389562            13765.773900   -0.00000358   down        1.290e-08              
2400/1  -11.478489        0.308139          2403.899020  19.627598            7835.764095    -0.00001970   down        2.320e-07              
2400/2  -11.423028        0.311645          2431.253150  19.713494            3837.113333    -0.00001391   down        1.050e-06              
2400/3  -11.474001        0.311889          2433.158120  19.715410            186.120048     -0.00002965   down        1.390e-08              
2400/4  -11.474584        0.309282          2412.816435  19.655097            6364.547142    -0.00003324   down        1.230e-07              
2800/1  -11.185082        0.357491          2788.912490  20.331586            2788.421848    0.00000164    up          2.630e-05              
2800/2  -11.404310        0.348872          2721.673735  19.710517            18081.755370   -0.00000544   down        3.080e-07              
2800/3  -11.186711        0.362567          2828.512055  20.409095            -1722.809765   0.00000443    up          1.830e-05              
2800/4  -11.224422        0.356825          2783.718325  20.065468            16973.940100   0.00000607    up          8.850e-06              
3200/1  -11.086940        0.409213          3192.413245  20.845460            -11065.604365  -0.00000001   down        1.280e-05              
3200/2  -11.098078        0.410758          3204.462560  20.708006            -971.532183    0.00001422    up          2.670e-05              
3200/3  -11.085548        0.405030          3159.779675  20.787980            -7825.156922   0.00000180    up          4.620e-05              
3200/4  -11.076082        0.407976          3182.764455  20.739182            -561.924517    0.00000785    up          3.800e-05              
500/1   -11.752610        0.063587          496.062484   18.909404            642.962849     0.00000008    up          1.100e-08              
======================================================================================================================================================
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/Dir_lammps/summary.out
Collected 16 folders
Wrote phase_pred.csv
Label counts:
solid = 9
liquid = 7
Wrote jobs_results.out
---------------------------------------------
    Temp |    Solid |   Liquid |    Total
---------------------------------------------
     500 |        1 |        0 |        1
    1000 |        1 |        0 |        1
    1500 |        1 |        0 |        1
    2000 |        1 |        0 |        1
    2400 |        4 |        0 |        4
    2800 |        1 |        3 |        4
    3200 |        0 |        4 |        4
---------------------------------------------
====================================
   Melting Point Fit (MPFit)
====================================
Tm          = 2719.89 K
Uncertainty = 110.04 K
====================================
Wrote /projects/bhin/hqj/sluschi_auto/9c1f5f87-9677-4b44-af28-fc3e9bbef27c/Ta30/Dir_lammps/cost_table.out
Collected 55 log files

====================================
Computational cost summary:
Number of trajectories (temp/id) = 16
Total log files (incl. subruns)  = 55
Total wall time                 = 17:45:56
Total seconds                  = 63956
Total GPU hours                = 17.77
====================================

=== PBE correction ===
N rows with PBE energy = 8
MT_LMP = 2719.892467132085
STD_LMP = 110.03774746638291
SOLID (PBE present only):
  lammps_poteng_eV_per_atom = -11.45460083
  PBE_energy_eV_per_atom = -11.48986549
LIQUID (PBE present only):
  lammps_poteng_eV_per_atom = -11.19157167
  PBE_energy_eV_per_atom = -11.24325136
DH_LMP_raw_PBE = 0.26302917 eV/atom
DH_LMP_PBE = 0.19008158 eV/atom
DH_PBE = 0.17366655 eV/atom
Cp_solid_PBE = 1.51974130e-04 eV/atom/K
Cp_liquid_PBE = 3.23433333e-04 eV/atom/K
Cp_avg_PBE = 2.27961195e-04 eV/atom/K
DeltaT_PBE = 320.00 K
DH_raw_PBE = 0.24661413 eV/atom
MT_PBE = 2485.00847655 K
Submitted POSCAR
Ta30
1.0
  10.2244128700000001   -0.0000113000000000    0.0000003000000000
  -0.0000113100000000   10.2243991600000008   -0.0000008800000000
   0.0000001600000000    0.0000000600000000    5.3030315000000003
Ta
30
direct
   0.9654549900000000    0.3718037300000000    0.0000001100000000 Ta
   0.2606604800000000    0.9324534100000000    0.5000000500000000 Ta
   0.3187728700000000    0.6812151900000000    0.7493286100000000 Ta
   0.1281930300000000    0.4654865400000000    0.4999999100000000 Ta
   0.8717948800000000    0.5345101600000000    0.4999998300000000 Ta
   0.8949662400000000    0.1050675500000000   -0.0000001400000000 Ta
   0.8188031800000000    0.8187697300000000    0.7506683199999999 Ta
   0.1811984400000000    0.1812115500000000    0.2493289200000000 Ta
   0.7393386400000000    0.0675556800000000    0.5000000900000000 Ta
   0.9324613400000000    0.2606814800000000    0.4999999600000000 Ta
   0.3949612700000000    0.3949743700000000    0.5000000300000000 Ta
   0.5000057400000000    0.5000012700000001    0.0000000200000000 Ta
   0.5345052200000000    0.8717936800000000    0.5000000500000000 Ta
   0.5675154600000000    0.7606520800000000   -0.0000000700000000 Ta
   0.0345326300000000    0.6281992600000000    0.0000000400000000 Ta
   0.6050484200000000    0.6050225500000000    0.5000000400000000 Ta
   0.3187729100000000    0.6812152100000000    0.2506714600000000 Ta
   0.6812317400000000    0.3188055900000000    0.2506754800000000 Ta
   0.0000082400000000    0.0000017900000000    0.4999999800000000 Ta
   0.8188031000000000    0.8187693000000000    0.2493319700000000 Ta
   0.6812317200000000    0.3188056500000000    0.7493244700000000 Ta
   0.4324811600000000    0.2393419500000000   -0.0000001200000000 Ta
   0.1811984400000000    0.1812115000000000    0.7506710900000000 Ta
   0.7606717800000000    0.5675049900000000   -0.0000001900000000 Ta
   0.3717931400000000    0.9654606800000000    0.0000000900000000 Ta
   0.0675440300000000    0.7393205800000000    0.5000000200000000 Ta
   0.6281935700000000    0.0345349300000000   -0.0000000600000000 Ta
   0.4654792700000000    0.1281987700000000    0.5000000300000000 Ta
   0.2393249700000000    0.4324875300000000    0.0000000600000000 Ta
   0.1050531000000000    0.8949433100000000   -0.0000000600000000 Ta

Returned Output Files

No output files have been received yet.