Melting Temperature Fit
Download MPFit Figure
=======================================================================================================
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 -11.357743160000000
7.2914838599999996 7.5775349700000003 0.0000000000000000
7.2914868899999998 -7.5775349700000003 0.0000000000000000
|a|,|b|,|c|,theta(bc),theta(ac),theta(ab):
11.358 10.516 10.516 92.204 90.000 90.000
In UNIT-cell, number of atoms: 1 1 total: 2
Inverse Matrix is:
0.0000000000000000 6.8573133495450508E-002 6.8573133495450508E-002
0.0000000000000000 6.5984532683495786E-002 -6.5984505263418494E-002
-8.8045660648660068E-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/560cc5db-bf0d-4b95-a411-6414eeb2576d/WC/Dir_lammps
['W', 'C']
elements: ['W', 'C']
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 = -21038.781400
Step reduced to 0.005
New scale = 0.995
==============================
Iteration 2
Current scale = 0.995
Pressure = 22153.786720
Step reduced to 0.0025
New scale = 0.9974999999999999
==============================
Iteration 3
Current scale = 0.9974999999999999
Pressure = 366.678619
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 = 23564.667860
New scale = 1.0074999999999998
==============================
Iteration 2
Current scale = 1.0074999999999998
Pressure = -67283.462400
Step reduced to 0.005
New scale = 1.0025
==============================
Iteration 3
Current scale = 1.0025
Pressure = -23860.848300
New scale = 0.9974999999999999
==============================
Iteration 4
Current scale = 0.9974999999999999
Pressure = 23564.582830
Step reduced to 0.0025
New scale = 0.9999999999999999
==============================
Iteration 5
Current scale = 0.9999999999999999
Pressure = -121.215434
Converged!
Now running full trajectory...
Completed!
==============================
1500
Start running job (temp, id) 1500 1000 ...
Using closest available scale or default: 0.9999999999999999
==============================
Iteration 1
Current scale = 0.9999999999999999
Pressure = 34180.278700
New scale = 1.0099999999999998
==============================
Iteration 2
Current scale = 1.0099999999999998
Pressure = -52049.112300
Step reduced to 0.005
New scale = 1.005
==============================
Iteration 3
Current scale = 1.005
Pressure = -14468.781629
New scale = 0.9999999999999999
==============================
Iteration 4
Current scale = 0.9999999999999999
Pressure = 31189.760600
Step reduced to 0.0025
New scale = 1.0025
==============================
Iteration 5
Current scale = 1.0025
Pressure = 9186.928620
New scale = 1.005
Now running full trajectory...
Completed!
==============================
2000
Start running job (temp, id) 2000 1000 ...
Using closest available scale or default: 1.005
==============================
Iteration 1
Current scale = 1.005
Pressure = 156292.695000
New scale = 1.015
==============================
Iteration 2
Current scale = 1.015
Pressure = 69034.497100
New scale = 1.025
==============================
Iteration 3
Current scale = 1.025
Pressure = 580.893280
Converged!
Now running full trajectory...
Completed!
==============================
500, 500, 1
Adaptive temp step = 100
500
Wrote /data/qhong7/qhong7/sluschi_auto/560cc5db-bf0d-4b95-a411-6414eeb2576d/WC/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/560cc5db-bf0d-4b95-a411-6414eeb2576d/WC/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 = 6609.87 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2044.9288524999999 6638.2752939560405
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: 1.025
==============================
Iteration 1
Current scale = 1.025
Pressure = 60213.474600
New scale = 1.035
==============================
Iteration 2
Current scale = 1.035
Pressure = 7713.328220
New scale = 1.045
==============================
Iteration 3
Current scale = 1.045
Pressure = -46593.028814
Step reduced to 0.005
New scale = 1.04
==============================
Iteration 4
Current scale = 1.04
Pressure = -21164.732380
New scale = 1.0350000000000001
==============================
Iteration 5
Current scale = 1.0350000000000001
Pressure = 559.414002
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /data/qhong7/qhong7/sluschi_auto/560cc5db-bf0d-4b95-a411-6414eeb2576d/WC/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/560cc5db-bf0d-4b95-a411-6414eeb2576d/WC/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 = 10805.73 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2050.4090095999995 10799.550067405597
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: 1.025
==============================
Iteration 1
Current scale = 1.025
Pressure = 33531.469300
New scale = 1.035
==============================
Iteration 2
Current scale = 1.035
Pressure = -16524.769730
Step reduced to 0.005
New scale = 1.03
==============================
Iteration 3
Current scale = 1.03
Pressure = 12657.414870
Step reduced to 0.0025
New scale = 1.0325
==============================
Iteration 4
Current scale = 1.0325
Pressure = -12329.364743
Step reduced to 0.00125
New scale = 1.03125
==============================
Iteration 5
Current scale = 1.03125
Pressure = -11218.090594
New scale = 1.03
Now running full trajectory...
Completed!
==============================
Wrote /data/qhong7/qhong7/sluschi_auto/560cc5db-bf0d-4b95-a411-6414eeb2576d/WC/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/560cc5db-bf0d-4b95-a411-6414eeb2576d/WC/Dir_lammps/summary.out
Collected 6 folders
Wrote phase_pred.csv
Label counts:
solid = 4
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
2400 | 0 | 1 | 1
2800 | 0 | 1 | 1
---------------------------------------------
====================================
Melting Point Fit (MPFit)
====================================
Tm = 2049.89 K
Uncertainty = 10874.57 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2049.8939384000000 10881.420227603086
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 1 0 1
2400 0 1 1
2800 0 1 1
=== Find next job to run ===
next job: 4 MD duplicate(s) at 2000.0000000000000 K
next job: 4 MD duplicate(s) at 2400.0000000000000 K
2000, 2000, 4
Adaptive temp step = 100
2000
Start running job (temp, id) 2000 1100 ...
Using scale from current temperature folder: 1.025
==============================
Iteration 1
Current scale = 1.025
Pressure = 3210.269589
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2000 1200 ...
Using scale from current temperature folder: 1.025
==============================
Iteration 1
Current scale = 1.025
Pressure = 13089.561847
New scale = 1.035
==============================
Iteration 2
Current scale = 1.035
Pressure = -44109.870500
Step reduced to 0.005
New scale = 1.03
==============================
Iteration 3
Current scale = 1.03
Pressure = -30012.792670
New scale = 1.0250000000000001
==============================
Iteration 4
Current scale = 1.0250000000000001
Pressure = 1557.864190
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2000 1300 ...
Using scale from current temperature folder: 1.0250000000000001
==============================
Iteration 1
Current scale = 1.0250000000000001
Pressure = 12276.666380
New scale = 1.0350000000000001
==============================
Iteration 2
Current scale = 1.0350000000000001
Pressure = -54642.481500
Step reduced to 0.005
New scale = 1.0300000000000002
==============================
Iteration 3
Current scale = 1.0300000000000002
Pressure = -23479.870370
New scale = 1.0250000000000004
==============================
Iteration 4
Current scale = 1.0250000000000004
Pressure = 7154.182588
Step reduced to 0.0025
New scale = 1.0275000000000003
==============================
Iteration 5
Current scale = 1.0275000000000003
Pressure = 8921.868780
New scale = 1.0300000000000002
Now running full trajectory...
Completed!
==============================
2400, 2400, 4
Adaptive temp step = 100
2400
Start running job (temp, id) 2400 1100 ...
Using scale from current temperature folder: 1.03
==============================
Iteration 1
Current scale = 1.03
Pressure = 1049.417890
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2400 1200 ...
Using scale from current temperature folder: 1.03
==============================
Iteration 1
Current scale = 1.03
Pressure = 7492.522370
New scale = 1.04
==============================
Iteration 2
Current scale = 1.04
Pressure = -53504.111400
Step reduced to 0.005
New scale = 1.0350000000000001
==============================
Iteration 3
Current scale = 1.0350000000000001
Pressure = -27670.055150
New scale = 1.0300000000000002
==============================
Iteration 4
Current scale = 1.0300000000000002
Pressure = 6010.202780
Step reduced to 0.0025
New scale = 1.0325000000000002
==============================
Iteration 5
Current scale = 1.0325000000000002
Pressure = -8109.327540
Step reduced to 0.00125
New scale = 1.0312500000000002
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2400 1300 ...
Using scale from current temperature folder: 1.0312500000000002
==============================
Iteration 1
Current scale = 1.0312500000000002
Pressure = -12236.611540
Step reduced to 0.005
New scale = 1.0262500000000003
==============================
Iteration 2
Current scale = 1.0262500000000003
Pressure = 25869.288700
Step reduced to 0.0025
New scale = 1.0287500000000003
==============================
Iteration 3
Current scale = 1.0287500000000003
Pressure = 16324.178391
New scale = 1.0312500000000002
==============================
Iteration 4
Current scale = 1.0312500000000002
Pressure = -4043.290681
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /data/qhong7/qhong7/sluschi_auto/560cc5db-bf0d-4b95-a411-6414eeb2576d/WC/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/560cc5db-bf0d-4b95-a411-6414eeb2576d/WC/Dir_lammps/summary.out
Collected 12 folders
Wrote phase_pred.csv
Label counts:
solid = 8
liquid = 4
Wrote jobs_results.out
---------------------------------------------
Temp | Solid | Liquid | Total
---------------------------------------------
500 | 1 | 0 | 1
1000 | 1 | 0 | 1
1500 | 1 | 0 | 1
2000 | 4 | 0 | 4
2400 | 1 | 3 | 4
2800 | 0 | 1 | 1
---------------------------------------------
====================================
Melting Point Fit (MPFit)
====================================
Tm = 2373.13 K
Uncertainty = 9554.75 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2373.1287594102000 9557.0578635999664
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 4 0 4
2400 1 3 4
2800 0 1 1
=== Find next job to run ===
next job: 4 MD duplicate(s) at 2000.0000000000000 K
next job: 4 MD duplicate(s) at 2400.0000000000000 K
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 2400.0000000000000 K
next job: 4 MD duplicate(s) at 2800.0000000000000 K
2000, 2000, 4
Adaptive temp step = 100
2000
2400, 2400, 4
Adaptive temp step = 100
2400
2400, 2400, 4
Adaptive temp step = 100
2400
2800, 2800, 4
Adaptive temp step = 100
2800
Start running job (temp, id) 2800 1100 ...
Using scale from current temperature folder: 1.0350000000000001
==============================
Iteration 1
Current scale = 1.0350000000000001
Pressure = 8645.692360
New scale = 1.0450000000000002
==============================
Iteration 2
Current scale = 1.0450000000000002
Pressure = -43511.916780
Step reduced to 0.005
New scale = 1.0400000000000003
==============================
Iteration 3
Current scale = 1.0400000000000003
Pressure = -22573.841380
New scale = 1.0350000000000004
==============================
Iteration 4
Current scale = 1.0350000000000004
Pressure = 2809.673507
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2800 1200 ...
Using scale from current temperature folder: 1.0350000000000004
==============================
Iteration 1
Current scale = 1.0350000000000004
Pressure = 8277.054730
New scale = 1.0450000000000004
==============================
Iteration 2
Current scale = 1.0450000000000004
Pressure = -53008.934770
Step reduced to 0.005
New scale = 1.0400000000000005
==============================
Iteration 3
Current scale = 1.0400000000000005
Pressure = -19601.911030
New scale = 1.0350000000000006
==============================
Iteration 4
Current scale = 1.0350000000000006
=== DFT corrections begin ===
=== PBE correction ===
N rows with PBE energy = 8
MT_LMP = 2318.6287695628293
STD_LMP = 112.60176655597532
SOLID (PBE present only):
lammps_poteng_eV_per_atom = -10.64443333
PBE_energy_eV_per_atom = -10.64491793
N_solid_PBE = 5
SEM_lammps_solid_PBE = 6.54829730e-03 eV/atom
SEM_PBE_solid = 6.66686766e-03 eV/atom
LIQUID (PBE present only):
lammps_poteng_eV_per_atom = -10.55703944
PBE_energy_eV_per_atom = -10.57201347
N_liquid_PBE = 3
SEM_lammps_liquid_PBE = 3.39534874e-02 eV/atom
SEM_PBE_liquid = 2.95174221e-02 eV/atom
DH_LMP_raw_PBE = 0.08739389 eV/atom
DH_LMP_PBE = 0.01254972 eV/atom
DH_PBE = -0.00193970 eV/atom
STD_DH_LMP_PBE = 3.45791774e-02 eV/atom
STD_DH_PBE = 3.02609539e-02 eV/atom
COV_DH_PBE_LMP = 1.04242249e-03 (eV/atom)^2
Cp_solid_PBE = 2.33888021e-04 eV/atom/K
Cp_liquid_PBE = 2.33888021e-04 eV/atom/K
Cp_avg_PBE = 2.33888021e-04 eV/atom/K
DeltaT_PBE = 320.00 K
DH_raw_PBE = 0.07290446 eV/atom
MT_PBE = -358.37057744 K
STD_PBE = 6575.15230276 K
=== R2SCAN correction ===
N rows with R2SCAN energy = 8
MT_LMP = 2318.6287695628293
STD_LMP = 112.60176655597532
SOLID (R2SCAN present only):
lammps_poteng_eV_per_atom = -10.64443333
R2SCAN_energy_eV_per_atom = -30.19372934
N_solid_R2SCAN = 5
SEM_lammps_solid_R2SCAN = 6.54829730e-03 eV/atom
SEM_R2SCAN_solid = 6.40902601e-03 eV/atom
LIQUID (R2SCAN present only):
lammps_poteng_eV_per_atom = -10.55703944
R2SCAN_energy_eV_per_atom = -30.11904677
N_liquid_R2SCAN = 3
SEM_lammps_liquid_R2SCAN = 3.39534874e-02 eV/atom
SEM_R2SCAN_liquid = 3.05113643e-02 eV/atom
DH_LMP_raw_R2SCAN = 0.08739389 eV/atom
DH_LMP_R2SCAN = 0.01254972 eV/atom
DH_R2SCAN = -0.00016160 eV/atom
STD_DH_LMP_R2SCAN = 3.45791774e-02 eV/atom
STD_DH_R2SCAN = 3.11772187e-02 eV/atom
COV_DH_R2SCAN_LMP = 1.07657522e-03 (eV/atom)^2
Cp_solid_R2SCAN = 2.33888021e-04 eV/atom/K
Cp_liquid_R2SCAN = 2.33888021e-04 eV/atom/K
Cp_avg_R2SCAN = 2.33888021e-04 eV/atom/K
DeltaT_R2SCAN = 320.00 K
DH_raw_R2SCAN = 0.07468257 eV/atom
MT_R2SCAN = -29.85591504 K
STD_R2SCAN = 5842.31006024 K
=== DFT corrections end ===
Pressure = 3018.798860
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2800 1300 ...
Using scale from current temperature folder: 1.0350000000000006
==============================
Iteration 1
Current scale = 1.0350000000000006
Pressure = -1734.962871
Converged!
Now running full trajectory...
Completed!
==============================
2400, 2400, 4
Adaptive temp step = 100
2400
2800, 2800, 4
Adaptive temp step = 100
2800
Wrote /data/qhong7/qhong7/sluschi_auto/560cc5db-bf0d-4b95-a411-6414eeb2576d/WC/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/560cc5db-bf0d-4b95-a411-6414eeb2576d/WC/Dir_lammps/summary.out
Collected 15 folders
Wrote phase_pred.csv
Label counts:
solid = 8
liquid = 7
Wrote jobs_results.out
---------------------------------------------
Temp | Solid | Liquid | Total
---------------------------------------------
500 | 1 | 0 | 1
1000 | 1 | 0 | 1
1500 | 1 | 0 | 1
2000 | 4 | 0 | 4
2400 | 1 | 3 | 4
2800 | 0 | 4 | 4
---------------------------------------------
====================================
Melting Point Fit (MPFit)
====================================
Tm = 2319.00 K
Uncertainty = 112.31 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2319.5367620490720 112.53983800907855
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 4 0 4
2400 1 3 4
2800 0 4 4
current fit
1 2319.5367620490720 112.53983800907855
possibilities:
current fit
0 2319.5367620490720 112.53983800907855
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 -11.081039 0.126365 981.694900 10.782252 -118.520106 0.00000003 up 7.850e-09 Pm (6)
1500/1 -11.016065 0.195218 1516.592570 10.908531 -11953.067000 0.00000076 up 3.810e-09 P-6m2 (187)
2000/1 -10.663597 0.256739 1994.531110 11.504357 3984.328013 -0.00000984 down 2.610e-07 P1 (1)
2000/2 -10.666422 0.256902 1995.798395 11.530430 -2812.387540 -0.00000816 down 3.050e-07 P1 (1)
2000/3 -10.640060 0.259933 2019.340005 11.507945 7338.494285 -0.00000968 down 1.200e-07 P1 (1)
2000/4 -10.654946 0.258135 2005.371105 11.460944 21208.015990 -0.00000836 down 1.720e-06 P1 (1)
2400/1 -10.574825 0.314691 2444.744740 11.713109 -2391.336265 -0.00001999 down 5.470e-06 P1 (1)
2400/2 -10.509959 0.304388 2364.697730 11.757538 -5631.159072 -0.00000261 down 3.270e-06 P1 (1)
2400/3 -10.556383 0.309489 2404.329445 11.655634 8745.124813 -0.00001452 down 3.440e-06 P1 (1)
2400/4 -10.566526 0.308313 2395.193615 11.747423 3194.539673 -0.00001529 down 1.560e-06 P1 (1)
2800/1 -10.403342 0.364368 2830.665275 11.931780 -2304.282987 0.00000158 up 6.650e-06 P1 (1)
2800/2 -10.472868 0.367109 2851.959595 11.871154 -777.459760 -0.00001079 down 6.920e-06 P1 (1)
2800/3 -10.467941 0.356348 2768.359925 11.833737 4226.382532 -0.00000835 down 4.440e-06 P1 (1)
2800/4 -10.410397 0.357736 2779.144870 11.973305 -4763.855930 -0.00000878 down 7.030e-06 P1 (1)
500/1 -11.148359 0.064036 497.478032 10.684681 968.715206 0.00000017 up 2.050e-09 Cm (8)
======================================================================================================================================================
Wrote /data/qhong7/qhong7/sluschi_auto/560cc5db-bf0d-4b95-a411-6414eeb2576d/WC/Dir_lammps/summary.csv
Wrote /data/qhong7/qhong7/sluschi_auto/560cc5db-bf0d-4b95-a411-6414eeb2576d/WC/Dir_lammps/summary.out
Collected 15 folders
Wrote phase_pred.csv
Label counts:
solid = 8
liquid = 7
Wrote jobs_results.out
---------------------------------------------
Temp | Solid | Liquid | Total
---------------------------------------------
500 | 1 | 0 | 1
1000 | 1 | 0 | 1
1500 | 1 | 0 | 1
2000 | 4 | 0 | 4
2400 | 1 | 3 | 4
2800 | 0 | 4 | 4
---------------------------------------------
====================================
Melting Point Fit (MPFit)
====================================
Tm = 2318.63 K
Uncertainty = 112.60 K
====================================
Wrote /data/qhong7/qhong7/sluschi_auto/560cc5db-bf0d-4b95-a411-6414eeb2576d/WC/Dir_lammps/cost_table.out
Collected 70 log files
====================================
Computational cost summary:
Number of trajectories (temp/id) = 15
Total log files (incl. subruns) = 70
Total wall time = 2:24:38
Total seconds = 8678
Total GPU hours = 2.41
====================================
W1 C1 1.0 2.9165941499999999 -0.0000000000000000 0.0000000000000000 -1.4582975800000000 2.5258449900000000 -0.0000000000000000 -0.0000000000000000 0.0000000000000000 2.8394357900000000 W C 1 1 direct -0.0000000000000000 0.0000000000000000 -0.0000000000000000 W 0.6666670000000000 0.3333330000000000 0.5000000000000000 C
No output files have been received yet.