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:
-8.7128000259000000 0.0000000000000000 -8.9377002716000007
-8.7128000259000000 0.0000000000000000 8.9377002716000007
0.0000000000000000 12.721799850500000 0.0000000000000000
|a|,|b|,|c|,theta(bc),theta(ac),theta(ab):
12.482 12.482 12.722 90.000 90.000 91.460
In UNIT-cell, number of atoms: 4 20 56 total: 80
Inverse Matrix is:
-5.7386832994408346E-002 -5.7386832994408346E-002 0.0000000000000000
0.0000000000000000 0.0000000000000000 7.8605229743549013E-002
-5.5942802377114340E-002 5.5942802377114340E-002 0.0000000000000000
In SUPER-cell, number of atoms: 8 40 112 total: 160
POSCAR_STRCT atoms = 160
Accepted radius = 11 with 160 atoms
====================================================================================================
/projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps
['Y', 'P', 'O']
elements: ['Y', 'P', 'O']
counts: [8, 40, 112]
solid atom IDs: 1:160
liquid atom IDs: 161:320
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 = 28243.812000
New scale = 1.01
==============================
Iteration 2
Current scale = 1.01
Pressure = 5893.616616
New scale = 1.02
==============================
Iteration 3
Current scale = 1.02
Pressure = -15682.651050
Step reduced to 0.005
New scale = 1.0150000000000001
==============================
Iteration 4
Current scale = 1.0150000000000001
Pressure = -5379.435563
New scale = 1.0100000000000002
==============================
Iteration 5
Current scale = 1.0100000000000002
Pressure = 5893.369332
Step reduced to 0.0025
New scale = 1.0125000000000002
Now running full trajectory...
Completed!
==============================
1000
Start running job (temp, id) 1000 1000 ...
Using closest available scale or default: 1.0125000000000002
==============================
Iteration 1
Current scale = 1.0125000000000002
Pressure = 13493.690110
New scale = 1.0225000000000002
==============================
Iteration 2
Current scale = 1.0225000000000002
Pressure = -4822.510480
Converged!
Now running full trajectory...
Completed!
==============================
1500
Start running job (temp, id) 1500 1000 ...
Using closest available scale or default: 1.0225000000000002
==============================
Iteration 1
Current scale = 1.0225000000000002
Pressure = 34019.748200
New scale = 1.0325000000000002
==============================
Iteration 2
Current scale = 1.0325000000000002
Pressure = 18491.970100
New scale = 1.0425000000000002
==============================
Iteration 3
Current scale = 1.0425000000000002
Pressure = 8763.447940
New scale = 1.0525000000000002
==============================
Iteration 4
Current scale = 1.0525000000000002
Pressure = 4165.796940
Converged!
Now running full trajectory...
Completed!
==============================
2000
Start running job (temp, id) 2000 1000 ...
Using closest available scale or default: 1.0525000000000002
==============================
Iteration 1
Current scale = 1.0525000000000002
Pressure = 19053.346500
New scale = 1.0625000000000002
==============================
Iteration 2
Current scale = 1.0625000000000002
Pressure = 14977.024670
New scale = 1.0725000000000002
==============================
Iteration 3
Current scale = 1.0725000000000002
Pressure = 3402.866400
Converged!
Now running full trajectory...
Completed!
==============================
500, 500, 1
Adaptive temp step = 100
500
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/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 = 6622.60 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2044.9288524999999 6625.1258627851967
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: 1.0725000000000002
==============================
Iteration 1
Current scale = 1.0725000000000002
Pressure = 8358.098020
New scale = 1.0825000000000002
==============================
Iteration 2
Current scale = 1.0825000000000002
Pressure = 10722.423155
New scale = 1.0925000000000002
==============================
Iteration 3
Current scale = 1.0925000000000002
Pressure = 6564.404260
New scale = 1.1025000000000003
==============================
Iteration 4
Current scale = 1.1025000000000003
Pressure = 680.686600
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/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 = 10794.47 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2050.4090095999995 10795.016834815167
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: 1.0725000000000002
==============================
Iteration 1
Current scale = 1.0725000000000002
Pressure = 6985.095100
New scale = 1.0825000000000002
==============================
Iteration 2
Current scale = 1.0825000000000002
Pressure = 3312.674630
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/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 = 10859.59 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2049.8939384000000 10900.154116337915
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: 1.0725000000000002
==============================
Iteration 1
Current scale = 1.0725000000000002
Pressure = -8775.109660
Step reduced to 0.005
New scale = 1.0675000000000003
==============================
Iteration 2
Current scale = 1.0675000000000003
Pressure = -2346.228790
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2000 1200 ...
Using scale from current temperature folder: 1.0675000000000003
==============================
Iteration 1
Current scale = 1.0675000000000003
Pressure = 7984.671780
New scale = 1.0775000000000003
==============================
Iteration 2
Current scale = 1.0775000000000003
Pressure = -1064.924900
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2000 1300 ...
Using scale from current temperature folder: 1.0775000000000003
==============================
Iteration 1
Current scale = 1.0775000000000003
Pressure = 2037.066900
Converged!
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: 1.0825000000000002
==============================
Iteration 1
Current scale = 1.0825000000000002
Pressure = -1842.957500
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2400 1200 ...
Using scale from current temperature folder: 1.0825000000000002
==============================
Iteration 1
Current scale = 1.0825000000000002
Pressure = 6416.346310
New scale = 1.0925000000000002
==============================
Iteration 2
Current scale = 1.0925000000000002
Pressure = -3312.457300
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2400 1300 ...
Using scale from current temperature folder: 1.0925000000000002
==============================
Iteration 1
Current scale = 1.0925000000000002
Pressure = -655.536540
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.out
Collected 12 folders
Wrote phase_pred.csv
Label counts:
solid = 5
liquid = 7
Wrote jobs_results.out
---------------------------------------------
Temp | Solid | Liquid | Total
---------------------------------------------
500 | 1 | 0 | 1
1000 | 1 | 0 | 1
1500 | 1 | 0 | 1
2000 | 2 | 2 | 4
2400 | 0 | 4 | 4
2800 | 0 | 1 | 1
---------------------------------------------
====================================
Melting Point Fit (MPFit)
====================================
Tm = 2000.93 K
Uncertainty = 579.45 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2000.9270960319998 578.54337840404025
500 1 0 1
1000 1 0 1
1500 1 0 1
2000 2 2 4
2400 0 4 4
2800 0 1 1
=== Find next job to run ===
next job: 1 MD duplicate(s) at 1750.0000000000000 K
next job: 1 MD duplicate(s) at 2200.0000000000000 K
next job: 1 MD duplicate(s) at 1750.0000000000000 K
1750, 1750, 1
Adaptive temp step = 100
1750
Start running job (temp, id) 1750 1000 ...
Using closest available scale or default: 1.0775000000000003
==============================
Iteration 1
Current scale = 1.0775000000000003
Pressure = -8636.486847
Step reduced to 0.005
New scale = 1.0725000000000005
==============================
Iteration 2
Current scale = 1.0725000000000005
Pressure = -7035.074090
New scale = 1.0675000000000006
==============================
Iteration 3
Current scale = 1.0675000000000006
Pressure = -816.622158
Converged!
Now running full trajectory...
Completed!
==============================
2200, 2200, 1
Adaptive temp step = 100
2200
Start running job (temp, id) 2200 1000 ...
Using closest available scale or default: 1.0925000000000002
==============================
Iteration 1
Current scale = 1.0925000000000002
Pressure = -607.605220
Converged!
Now running full trajectory...
Completed!
==============================
1750, 1750, 1
Adaptive temp step = 100
1750
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.out
Collected 14 folders
Wrote phase_pred.csv
Label counts:
solid = 7
liquid = 7
Wrote jobs_results.out
---------------------------------------------
Temp | Solid | Liquid | Total
---------------------------------------------
500 | 1 | 0 | 1
1000 | 1 | 0 | 1
1500 | 1 | 0 | 1
1750 | 1 | 0 | 1
2000 | 2 | 2 | 4
2200 | 1 | 0 | 1
2400 | 0 | 4 | 4
2800 | 0 | 1 | 1
---------------------------------------------
====================================
Melting Point Fit (MPFit)
====================================
Tm = 2042.98 K
Uncertainty = 10598.43 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 2042.9848686000000 10599.787085659813
500 1 0 1
1000 1 0 1
1500 1 0 1
1750 1 0 1
2000 2 2 4
2200 1 0 1
2400 0 4 4
2800 0 1 1
=== Find next job to run ===
next job: 1 MD duplicate(s) at 1875.0000000000000 K
next job: 4 MD duplicate(s) at 2000.0000000000000 K
next job: 4 MD duplicate(s) at 2200.0000000000000 K
next job: 4 MD duplicate(s) at 2200.0000000000000 K
next job: 4 MD duplicate(s) at 2400.0000000000000 K
next job: 1 MD duplicate(s) at 1875.0000000000000 K
1875, 1875, 1
Adaptive temp step = 100
1875
Start running job (temp, id) 1875 1000 ...
Using closest available scale or default: 1.0775000000000003
==============================
Iteration 1
Current scale = 1.0775000000000003
Pressure = -6210.550980
Step reduced to 0.005
New scale = 1.0725000000000005
==============================
Iteration 2
Current scale = 1.0725000000000005
Pressure = -3316.657350
Converged!
Now running full trajectory...
Completed!
==============================
2000, 2000, 4
Adaptive temp step = 100
2000
2200, 2200, 4
Adaptive temp step = 100
2200
Start running job (temp, id) 2200 1100 ...
Using scale from current temperature folder: 1.0925000000000002
==============================
Iteration 1
Current scale = 1.0925000000000002
Pressure = -909.730270
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2200 1200 ...
Using scale from current temperature folder: 1.0925000000000002
==============================
Iteration 1
Current scale = 1.0925000000000002
Pressure = -4764.515750
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 2200 1300 ...
Using scale from current temperature folder: 1.0925000000000002
==============================
Iteration 1
Current scale = 1.0925000000000002
Pressure = -6115.899790
Step reduced to 0.005
New scale = 1.0875000000000004
==============================
Iteration 2
Current scale = 1.0875000000000004
Pressure = -2543.098900
Converged!
Now running full trajectory...
Completed!
==============================
2200, 2200, 4
Adaptive temp step = 100
2200
2400, 2400, 4
Adaptive temp step = 100
2400
1875, 1875, 1
Adaptive temp step = 100
1875
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.out
Collected 18 folders
Wrote phase_pred.csv
Label counts:
solid = 7
liquid = 11
Wrote jobs_results.out
---------------------------------------------
Temp | Solid | Liquid | Total
---------------------------------------------
500 | 1 | 0 | 1
1000 | 1 | 0 | 1
1500 | 1 | 0 | 1
1750 | 1 | 0 | 1
1875 | 0 | 1 | 1
2000 | 2 | 2 | 4
2200 | 1 | 3 | 4
2400 | 0 | 4 | 4
2800 | 0 | 1 | 1
---------------------------------------------
====================================
Melting Point Fit (MPFit)
====================================
Tm = 1835.14 K
Uncertainty = 321.52 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 1835.7571874351420 323.77251260845850
500 1 0 1
1000 1 0 1
1500 1 0 1
1750 1 0 1
1875 0 1 1
2000 2 2 4
2200 1 3 4
2400 0 4 4
2800 0 1 1
=== Find next job to run ===
next job: 4 MD duplicate(s) at 1750.0000000000000 K
next job: 4 MD duplicate(s) at 1875.0000000000000 K
next job: 4 MD duplicate(s) at 2000.0000000000000 K
next job: 4 MD duplicate(s) at 2200.0000000000000 K
next job: 4 MD duplicate(s) at 2200.0000000000000 K
next job: 4 MD duplicate(s) at 2400.0000000000000 K
next job: 4 MD duplicate(s) at 1750.0000000000000 K
next job: 4 MD duplicate(s) at 1875.0000000000000 K
1750, 1750, 4
Adaptive temp step = 100
1750
Start running job (temp, id) 1750 1100 ...
Using scale from current temperature folder: 1.0675000000000006
==============================
Iteration 1
Current scale = 1.0675000000000006
Pressure = -2900.408940
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 1750 1200 ...
Using scale from current temperature folder: 1.0675000000000006
==============================
Iteration 1
Current scale = 1.0675000000000006
Pressure = -2075.437020
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 1750 1300 ...
Using scale from current temperature folder: 1.0675000000000006
==============================
Iteration 1
Current scale = 1.0675000000000006
Pressure = -6057.563173
Step reduced to 0.005
New scale = 1.0625000000000007
==============================
Iteration 2
Current scale = 1.0625000000000007
Pressure = -5815.072640
New scale = 1.0575000000000008
==============================
Iteration 3
Current scale = 1.0575000000000008
Pressure = 7411.510790
Step reduced to 0.0025
New scale = 1.0600000000000007
==============================
Iteration 4
Current scale = 1.0600000000000007
Pressure = 1151.560290
Converged!
Now running full trajectory...
Completed!
==============================
1875, 1875, 4
Adaptive temp step = 100
1875
Start running job (temp, id) 1875 1100 ...
Using scale from current temperature folder: 1.0725000000000005
==============================
Iteration 1
Current scale = 1.0725000000000005
Pressure = 428.332800
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 1875 1200 ...
Using scale from current temperature folder: 1.0725000000000005
==============================
Iteration 1
Current scale = 1.0725000000000005
Pressure = -2165.640500
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 1875 1300 ...
Using scale from current temperature folder: 1.0725000000000005
==============================
Iteration 1
Current scale = 1.0725000000000005
Pressure = -3627.425282
Converged!
Now running full trajectory...
Completed!
==============================
2000, 2000, 4
Adaptive temp step = 100
2000
2200, 2200, 4
Adaptive temp step = 100
2200
2200, 2200, 4
Adaptive temp step = 100
2200
2400, 2400, 4
Adaptive temp step = 100
2400
1750, 1750, 4
Adaptive temp step = 100
1750
1875, 1875, 4
Adaptive temp step = 100
1875
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.out
Collected 24 folders
Wrote phase_pred.csv
Label counts:
solid = 10
liquid = 14
Wrote jobs_results.out
---------------------------------------------
Temp | Solid | Liquid | Total
---------------------------------------------
500 | 1 | 0 | 1
1000 | 1 | 0 | 1
1500 | 1 | 0 | 1
1750 | 3 | 1 | 4
1875 | 1 | 3 | 4
2000 | 2 | 2 | 4
2200 | 1 | 3 | 4
2400 | 0 | 4 | 4
2800 | 0 | 1 | 1
---------------------------------------------
====================================
Melting Point Fit (MPFit)
====================================
Tm = 1812.52 K
Uncertainty = 281.87 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 1812.5423261771739 283.00190399852971
500 1 0 1
1000 1 0 1
1500 1 0 1
1750 3 1 4
1875 1 3 4
2000 2 2 4
2200 1 3 4
2400 0 4 4
2800 0 1 1
=== Find next job to run ===
next job: 1 MD duplicate(s) at 1625.0000000000000 K
next job: 4 MD duplicate(s) at 1750.0000000000000 K
next job: 4 MD duplicate(s) at 1875.0000000000000 K
next job: 4 MD duplicate(s) at 1875.0000000000000 K
next job: 4 MD duplicate(s) at 2000.0000000000000 K
next job: 4 MD duplicate(s) at 2000.0000000000000 K
next job: 4 MD duplicate(s) at 2200.0000000000000 K
next job: 4 MD duplicate(s) at 2200.0000000000000 K
next job: 4 MD duplicate(s) at 2400.0000000000000 K
next job: 1 MD duplicate(s) at 1625.0000000000000 K
1625, 1625, 1
Adaptive temp step = 100
1625
Start running job (temp, id) 1625 1000 ...
Using closest available scale or default: 1.0600000000000007
==============================
Iteration 1
Current scale = 1.0600000000000007
Pressure = -5450.931950
Step reduced to 0.005
New scale = 1.0550000000000008
==============================
Iteration 2
Current scale = 1.0550000000000008
Pressure = -502.977102
Converged!
Now running full trajectory...
Completed!
==============================
1750, 1750, 4
Adaptive temp step = 100
1750
1875, 1875, 4
Adaptive temp step = 100
1875
1875, 1875, 4
Adaptive temp step = 100
1875
2000, 2000, 4
Adaptive temp step = 100
2000
2000, 2000, 4
Adaptive temp step = 100
2000
2200, 2200, 4
Adaptive temp step = 100
2200
2200, 2200, 4
Adaptive temp step = 100
2200
2400, 2400, 4
Adaptive temp step = 100
2400
1625, 1625, 1
Adaptive temp step = 100
1625
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.out
Collected 25 folders
Wrote phase_pred.csv
Label counts:
solid = 11
liquid = 14
Wrote jobs_results.out
---------------------------------------------
Temp | Solid | Liquid | Total
---------------------------------------------
500 | 1 | 0 | 1
1000 | 1 | 0 | 1
1500 | 1 | 0 | 1
1625 | 1 | 0 | 1
1750 | 3 | 1 | 4
1875 | 1 | 3 | 4
2000 | 2 | 2 | 4
2200 | 1 | 3 | 4
2400 | 0 | 4 | 4
2800 | 0 | 1 | 1
---------------------------------------------
====================================
Melting Point Fit (MPFit)
====================================
Tm = 1856.77 K
Uncertainty = 189.63 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 1855.1745586644190 188.79231286697976
500 1 0 1
1000 1 0 1
1500 1 0 1
1625 1 0 1
1750 3 1 4
1875 1 3 4
2000 2 2 4
2200 1 3 4
2400 0 4 4
2800 0 1 1
=== Find next job to run ===
next job: 4 MD duplicate(s) at 1625.0000000000000 K
next job: 4 MD duplicate(s) at 1750.0000000000000 K
next job: 4 MD duplicate(s) at 1750.0000000000000 K
next job: 4 MD duplicate(s) at 1875.0000000000000 K
next job: 4 MD duplicate(s) at 1875.0000000000000 K
next job: 4 MD duplicate(s) at 2000.0000000000000 K
next job: 4 MD duplicate(s) at 2000.0000000000000 K
next job: 4 MD duplicate(s) at 2200.0000000000000 K
next job: 4 MD duplicate(s) at 2200.0000000000000 K
next job: 4 MD duplicate(s) at 2400.0000000000000 K
next job: 4 MD duplicate(s) at 1625.0000000000000 K
next job: 4 MD duplicate(s) at 1750.0000000000000 K
1625, 1625, 4
Adaptive temp step = 100
1625
Start running job (temp, id) 1625 1100 ...
Using scale from current temperature folder: 1.0550000000000008
==============================
Iteration 1
Current scale = 1.0550000000000008
Pressure = -768.249260
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 1625 1200 ...
Using scale from current temperature folder: 1.0550000000000008
==============================
Iteration 1
Current scale = 1.0550000000000008
Pressure = -672.025580
Converged!
Now running full trajectory...
Completed!
==============================
Start running job (temp, id) 1625 1300 ...
Using scale from current temperature folder: 1.0550000000000008
==============================
Iteration 1
Current scale = 1.0550000000000008
Pressure = 1435.827430
Converged!
Now running full trajectory...
Completed!
==============================
1750, 1750, 4
Adaptive temp step = 100
1750
1750, 1750, 4
Adaptive temp step = 100
1750
1875, 1875, 4
Adaptive temp step = 100
1875
1875, 1875, 4
Adaptive temp step = 100
1875
2000, 2000, 4
Adaptive temp step = 100
2000
2000, 2000, 4
Adaptive temp step = 100
2000
2200, 2200, 4
Adaptive temp step = 100
2200
2200, 2200, 4
Adaptive temp step = 100
2200
2400, 2400, 4
Adaptive temp step = 100
2400
1625, 1625, 4
Adaptive temp step = 100
1625
1750, 1750, 4
Adaptive temp step = 100
1750
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.out
Collected 28 folders
Wrote phase_pred.csv
Label counts:
solid = 14
liquid = 14
Wrote jobs_results.out
---------------------------------------------
Temp | Solid | Liquid | Total
---------------------------------------------
500 | 1 | 0 | 1
1000 | 1 | 0 | 1
1500 | 1 | 0 | 1
1625 | 4 | 0 | 4
1750 | 3 | 1 | 4
1875 | 1 | 3 | 4
2000 | 2 | 2 | 4
2200 | 1 | 3 | 4
2400 | 0 | 4 | 4
2800 | 0 | 1 | 1
---------------------------------------------
====================================
Melting Point Fit (MPFit)
====================================
Tm = 1909.66 K
Uncertainty = 105.53 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 1910.1036929029488 105.31572860623248
500 1 0 1
1000 1 0 1
1500 1 0 1
1625 4 0 4
1750 3 1 4
1875 1 3 4
2000 2 2 4
2200 1 3 4
2400 0 4 4
2800 0 1 1
current fit
1 1910.1036929029488 105.31572860623248
possibilities:
current fit
1 1909.8880281723984 105.39285585010209
possibilities:
500.00000000000000 2 0 2
1 1910.2429295492643 105.87296740019501
1000.0000000000000 2 0 2
1 1909.5564845369161 103.66595877119107
1000.0000000000000 2 0 2
1 1910.8450692844126 104.75815339683828
1500.0000000000000 2 0 2
1 1914.1931691779182 99.028499760826534
1500.0000000000000 2 0 2
1 1914.2520281349393 98.887859308697017
1625.0000000000000 8 0 8
1 1929.8634572815149 85.416746706458667
1625.0000000000000 7 1 8
1 1902.5868043927926 111.22457521356711
1750.0000000000000 6 2 8
1 1916.8951387230884 97.083435182178121
1750.0000000000000 5 3 8
1 1881.0302247940729 111.41039534034346
1875.0000000000000 2 6 8
1 1863.6828163489054 96.496316963099559
1875.0000000000000 5 3 8
1 1979.1500571931908 99.712628465903393
2000.0000000000000 4 4 8
1 1926.2994044689679 103.11149641356940
2000.0000000000000 2 6 8
1 1856.9856387826878 80.673623633281380
2200.0000000000000 2 6 8
1 1911.0720675892226 101.02803729114748
2200.0000000000000 2 6 8
1 1911.2669840760523 101.26099744638522
2400.0000000000000 0 8 8
1 1892.4754473454097 82.395717051488248
2400.0000000000000 1 7 8
1 1922.1041620716273 117.31415598760326
2800.0000000000000 0 2 2
1 1906.2326950109903 98.174726324052713
750.00000000000000 4 0 4
1 1910.3612963828305 104.26804896174053
1250.0000000000000 4 0 4
1 1913.2036520646170 95.447163101533491
1562.5000000000000 4 0 4
1 1924.1409227302868 86.266837388426694
1687.5000000000000 3 1 4
1 1909.2269629009616 102.22530877730375
1812.5000000000000 2 2 4
1 1891.3491416300067 101.24691524242115
1937.5000000000000 1 3 4
1 1876.4522878632865 91.552625818523893
2100.0000000000000 1 3 4
1 1901.9122996661813 94.529768474960264
2300.0000000000000 0 4 4
1 1888.5404240076909 80.817069792121998
2600.0000000000000 0 4 4
1 1897.9379315795859 86.027787982806416
=== Find next job to run ===
next job: 4 MD duplicate(s) at 1625.0000000000000 K
next job: 4 MD duplicate(s) at 1750.0000000000000 K
next job: 4 MD duplicate(s) at 1750.0000000000000 K
next job: 4 MD duplicate(s) at 1875.0000000000000 K
next job: 4 MD duplicate(s) at 1875.0000000000000 K
next job: 4 MD duplicate(s) at 2000.0000000000000 K
next job: 4 MD duplicate(s) at 2000.0000000000000 K
next job: 4 MD duplicate(s) at 2200.0000000000000 K
next job: 4 MD duplicate(s) at 2200.0000000000000 K
next job: 4 MD duplicate(s) at 2400.0000000000000 K
next job: 2 MD duplicate(s) at 2800.0000000000000 K
1625, 1625, 4
Adaptive temp step = 100
1625
1750, 1750, 4
Adaptive temp step = 100
1750
1750, 1750, 4
Adaptive temp step = 100
1750
1875, 1875, 4
Adaptive temp step = 100
1875
1875, 1875, 4
Adaptive temp step = 100
1875
2000, 2000, 4
Adaptive temp step = 100
2000
2000, 2000, 4
Adaptive temp step = 100
2000
2200, 2200, 4
Adaptive temp step = 100
2200
2200, 2200, 4
Adaptive temp step = 100
2200
2400, 2400, 4
Adaptive temp step = 100
2400
2800, 2800, 2
Adaptive temp step = 100
2800
Start running job (temp, id) 2800 1100 ...
Using scale from current temperature folder: 1.1025000000000003
==============================
Iteration 1
Current scale = 1.1025000000000003
Pressure = 1376.940710
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.out
Collected 29 folders
Wrote phase_pred.csv
Label counts:
solid = 14
liquid = 15
Wrote jobs_results.out
---------------------------------------------
Temp | Solid | Liquid | Total
---------------------------------------------
500 | 1 | 0 | 1
1000 | 1 | 0 | 1
1500 | 1 | 0 | 1
1625 | 4 | 0 | 4
1750 | 3 | 1 | 4
1875 | 1 | 3 | 4
2000 | 2 | 2 | 4
2200 | 1 | 3 | 4
2400 | 0 | 4 | 4
2800 | 0 | 2 | 2
---------------------------------------------
====================================
Melting Point Fit (MPFit)
====================================
Tm = 1906.09 K
Uncertainty = 98.25 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 1906.2650279774984 98.500156500287886
500 1 0 1
1000 1 0 1
1500 1 0 1
1625 4 0 4
1750 3 1 4
1875 1 3 4
2000 2 2 4
2200 1 3 4
2400 0 4 4
2800 0 2 2
current fit
1 1906.2650279774984 98.500156500287886
possibilities:
current fit
1 1905.6383624457301 98.264514274412136
possibilities:
500.00000000000000 2 0 2
1 1905.8508005800068 98.069827020310413
1000.0000000000000 2 0 2
1 1906.4959534035086 97.714140196001964
1000.0000000000000 2 0 2
1 1906.2795418369381 97.532267899555237
1500.0000000000000 2 0 2
1 1910.7563116400129 93.144905923978499
1500.0000000000000 2 0 2
1 1910.2280196525412 93.634134614880963
1625.0000000000000 8 0 8
1 1926.6546453434762 81.286187026023100
1625.0000000000000 7 1 8
1 1896.2115236618890 100.83455062313719
1750.0000000000000 6 2 8
1 1912.8887111993363 89.369252082344005
1750.0000000000000 5 3 8
1 1875.5296849302242 100.74283723890670
1875.0000000000000 2 6 8
1 1862.2476454572075 90.732713154192922
1875.0000000000000 5 3 8
1 1972.4471559881249 89.648065988011354
2000.0000000000000 4 4 8
1 1922.8708389577719 95.475360030435951
2000.0000000000000 2 6 8
1 1856.9740817121224 78.468118813811500
2200.0000000000000 2 6 8
1 1909.4824646139145 96.400547837622526
2200.0000000000000 2 6 8
1 1908.8893244270191 96.045355365096853
2400.0000000000000 0 8 8
1 1892.3952256300172 81.089815937283291
2400.0000000000000 1 7 8
1 1919.4420349563268 110.44392749509400
2800.0000000000000 0 4 4
1 1901.9403953224651 90.451611025342132
750.00000000000000 4 0 4
1 1905.5820007047441 97.566902263895273
1250.0000000000000 4 0 4
1 1909.8879501221923 91.318682150425332
1562.5000000000000 4 0 4
1 1921.2211907956055 83.035919284925669
1687.5000000000000 3 1 4
1 1903.1932822406898 93.705096865363359
1812.5000000000000 2 2 4
1 1887.2434895771009 93.330089349976546
1937.5000000000000 1 3 4
1 1875.3886208012536 86.833705723494162
2100.0000000000000 1 3 4
1 1901.2728966998129 90.147400177177062
2300.0000000000000 0 4 4
1 1888.5811898089630 80.045380123083561
2600.0000000000000 0 4 4
1 1897.2105077464100 84.095778832513489
=== Find next job to run ===
next job: 4 MD duplicate(s) at 1625.0000000000000 K
next job: 4 MD duplicate(s) at 1750.0000000000000 K
next job: 4 MD duplicate(s) at 1750.0000000000000 K
next job: 4 MD duplicate(s) at 1875.0000000000000 K
next job: 4 MD duplicate(s) at 1875.0000000000000 K
next job: 4 MD duplicate(s) at 2000.0000000000000 K
next job: 4 MD duplicate(s) at 2000.0000000000000 K
next job: 4 MD duplicate(s) at 2200.0000000000000 K
next job: 4 MD duplicate(s) at 2200.0000000000000 K
next job: 4 MD duplicate(s) at 2400.0000000000000 K
next job: 2 MD duplicate(s) at 1500.0000000000000 K
1625, 1625, 4
Adaptive temp step = 100
1625
1750, 1750, 4
Adaptive temp step = 100
1750
1750, 1750, 4
Adaptive temp step = 100
1750
1875, 1875, 4
Adaptive temp step = 100
1875
1875, 1875, 4
Adaptive temp step = 100
1875
2000, 2000, 4
Adaptive temp step = 100
2000
2000, 2000, 4
Adaptive temp step = 100
2000
2200, 2200, 4
Adaptive temp step = 100
2200
2200, 2200, 4
Adaptive temp step = 100
2200
2400, 2400, 4
Adaptive temp step = 100
2400
1500, 1500, 2
Adaptive temp step = 100
1500
Start running job (temp, id) 1500 1100 ...
Using scale from current temperature folder: 1.0525000000000002
==============================
Iteration 1
Current scale = 1.0525000000000002
Pressure = -8685.975190
Step reduced to 0.005
New scale = 1.0475000000000003
==============================
Iteration 2
Current scale = 1.0475000000000003
Pressure = 2912.393210
Converged!
Now running full trajectory...
Completed!
==============================
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.out
Collected 30 folders
Wrote phase_pred.csv
Label counts:
solid = 15
liquid = 15
Wrote jobs_results.out
---------------------------------------------
Temp | Solid | Liquid | Total
---------------------------------------------
500 | 1 | 0 | 1
1000 | 1 | 0 | 1
1500 | 2 | 0 | 2
1625 | 4 | 0 | 4
1750 | 3 | 1 | 4
1875 | 1 | 3 | 4
2000 | 2 | 2 | 4
2200 | 1 | 3 | 4
2400 | 0 | 4 | 4
2800 | 0 | 2 | 2
---------------------------------------------
====================================
Melting Point Fit (MPFit)
====================================
Tm = 1910.18 K
Uncertainty = 93.20 K
====================================
jobs_to_run.out Jobs completed
=== running MPFit ===
Melting temperature and std error: 1909.9957743103228 92.890180198040213
500 1 0 1
1000 1 0 1
1500 2 0 2
1625 4 0 4
1750 3 1 4
1875 1 3 4
2000 2 2 4
2200 1 3 4
2400 0 4 4
2800 0 2 2
current fit
1 1909.9957743103228 92.890180198040213
possibilities:
current fit
1 1910.2141488370985 93.549807962369954
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 -7.328456 0.129914 1008.205228 13.581135 -73.466775 -0.00000035 down 1.210e-08
1500/1 -7.184489 0.195560 1517.664005 15.666803 -391.401229 -0.00000133 down 7.160e-07
1500/2 -7.198506 0.196514 1525.064030 15.385393 -4791.966767 -0.00000308 down 1.510e-07
1625/1 -7.154145 0.208408 1617.372280 15.647145 -5194.073978 0.00000038 up 2.860e-06
1625/2 -7.171385 0.209341 1624.611280 15.753843 -515.753152 -0.00000158 down 1.810e-07
1625/3 -7.171877 0.208920 1621.343925 15.538057 -369.270221 -0.00000043 down 4.930e-07
1625/4 -7.187992 0.208047 1614.568665 15.407811 -3023.257292 -0.00000210 down 4.870e-07
1750/1 -7.113612 0.224409 1741.542920 16.272361 2247.152110 -0.00000058 down 2.000e-06
1750/2 -7.110395 0.226989 1761.570485 16.180912 2322.248620 -0.00000437 down 2.000e-06
1750/3 -7.110441 0.224514 1742.361605 16.113605 6938.080220 -0.00000280 down 7.930e-07
1750/4 -7.114602 0.224473 1742.043080 16.083063 669.377920 -0.00000227 down 3.170e-06
1875/1 -7.112855 0.242620 1882.870480 16.293816 3543.006970 -0.00000096 down 5.810e-06
1875/2 -7.100900 0.242754 1883.915090 16.352220 3855.807674 -0.00000808 down 8.480e-06
1875/3 -7.109608 0.243112 1886.695810 16.261065 3827.709762 -0.00000327 down 1.150e-05
1875/4 -7.116901 0.245203 1902.923355 16.634249 -183.975691 -0.00000600 down 2.570e-06
2000/1 -7.093903 0.256035 1986.979125 16.540090 -1890.652521 -0.00000752 down 1.970e-06
2000/2 -7.055066 0.259989 2017.669705 16.452068 2142.559543 -0.00000332 down 5.150e-06
2000/3 -7.086850 0.262069 2033.808420 16.822516 4284.411662 -0.00000454 down 7.460e-06
2000/4 -7.070344 0.259588 2014.552765 16.752640 -583.812855 -0.00000859 down 1.250e-06
2200/1 -7.032011 0.280310 2175.373230 17.236988 3628.227852 -0.00000676 down 2.750e-06
2200/2 -7.003231 0.283004 2196.274085 17.417067 4217.588096 -0.00000357 down 2.070e-05
2200/3 -7.012448 0.283933 2203.490310 17.311328 4184.251221 -0.00000024 down 1.410e-05
2200/4 -7.030621 0.281206 2182.327660 17.311711 4794.321754 -0.00000186 down 8.910e-06
2400/1 -6.959204 0.308299 2392.582855 17.201660 10892.380580 -0.00000145 down 2.080e-05
2400/2 -6.967116 0.307273 2384.621180 17.260767 10913.395308 -0.00000310 down 1.400e-05
2400/3 -6.994315 0.306737 2380.461440 17.626654 4529.481131 -0.00000446 down 1.390e-05
2400/4 -6.960925 0.307486 2386.275080 17.558786 6397.305963 -0.00000425 down 3.200e-05
2800/1 -6.848637 0.357097 2771.282630 18.367071 9319.817535 -0.00000738 down 5.800e-05
2800/2 -6.869311 0.361092 2802.283655 18.273071 14978.964110 -0.00000495 down 4.470e-05
500/1 -7.406717 0.064713 502.214590 13.191456 2548.061029 -0.00000030 down 1.450e-09
======================================================================================================================================================
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.csv
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/summary.out
Collected 30 folders
Wrote phase_pred.csv
Label counts:
solid = 15
liquid = 15
Wrote jobs_results.out
---------------------------------------------
Temp | Solid | Liquid | Total
---------------------------------------------
500 | 1 | 0 | 1
1000 | 1 | 0 | 1
1500 | 2 | 0 | 2
1625 | 4 | 0 | 4
1750 | 3 | 1 | 4
1875 | 1 | 3 | 4
2000 | 2 | 2 | 4
2200 | 1 | 3 | 4
2400 | 0 | 4 | 4
2800 | 0 | 2 | 2
---------------------------------------------
====================================
Melting Point Fit (MPFit)
====================================
Tm = 1910.30 K
Uncertainty = 93.35 K
====================================
Wrote /projects/bhin/hqj/sluschi_auto/3fe4ef82-c77b-40c5-93b5-d80fd36c8395/Y4P20O56/Dir_lammps/cost_table.out
Collected 86 log files
====================================
Computational cost summary:
Number of trajectories (temp/id) = 30
Total log files (incl. subruns) = 86
Total wall time = 31:27:46
Total seconds = 113266
Total GPU hours = 31.46
====================================
=== PBE correction ===
N rows with PBE energy = 8
MT_LMP = 1910.2981225017454
STD_LMP = 93.35288502752915
SOLID (PBE present only):
lammps_poteng_eV_per_atom = -7.08893719
PBE_energy_eV_per_atom = -7.07306691
LIQUID (PBE present only):
lammps_poteng_eV_per_atom = -7.08682587
PBE_energy_eV_per_atom = -7.08037739
DH_LMP_raw_PBE = 0.00211131 eV/atom
DH_LMP_PBE = 0.00973930 eV/atom
DH_PBE = 0.00031751 eV/atom
Cp_solid_PBE = 2.30016648e-04 eV/atom/K
Cp_liquid_PBE = 2.27662496e-04 eV/atom/K
Cp_avg_PBE = 2.28839572e-04 eV/atom/K
DeltaT_PBE = -33.33 K
DH_raw_PBE = -0.00731048 eV/atom
MT_PBE = 62.27734162 K
Yttrium pentaphosphate(V)
1.0
8.7128000259 0.0000000000 0.0000000000
0.0000000000 12.7217998505 0.0000000000
0.0000000000 0.0000000000 8.9377002716
Y P O
4 20 56
Direct
0.018239999 0.250000000 0.056949999
0.981760025 0.750000000 0.943050027
0.481759995 0.750000000 0.556949973
0.518239975 0.250000000 0.443049997
0.492610008 0.417499989 0.798020005
0.507390022 0.582499981 0.201979995
0.007389992 0.582499981 0.298020005
0.992609978 0.417499989 0.701979995
0.507390022 0.917500019 0.201979995
0.492610008 0.082500011 0.798020005
0.992609978 0.082500011 0.701979995
0.007389992 0.917500019 0.298020005
0.430000007 0.250000000 0.006450000
0.569999993 0.750000000 0.993550003
0.069999993 0.750000000 0.506449997
0.930000007 0.250000000 0.493550003
0.755339980 0.432689995 0.226919994
0.244660005 0.567309976 0.773079991
0.744660020 0.567309976 0.726920009
0.255339980 0.432689995 0.273079991
0.244660005 0.932690024 0.773079991
0.755339980 0.067310005 0.226919994
0.255339980 0.067310005 0.273079991
0.744660020 0.932690024 0.726920009
0.273900002 0.250000000 0.941399992
0.726099968 0.750000000 0.058600001
0.226099998 0.750000000 0.441399992
0.773900032 0.250000000 0.558600008
0.526499987 0.347000003 0.935400009
0.473500013 0.652999997 0.064599998
0.973500013 0.652999997 0.435400009
0.026499987 0.347000003 0.564599991
0.473500013 0.847000003 0.064599998
0.526499987 0.152999997 0.935400009
0.026499987 0.152999997 0.564599991
0.973500013 0.847000003 0.435400009
0.961799979 0.250000000 0.333200008
0.038199998 0.750000000 0.666800022
0.538200021 0.750000000 0.833199978
0.461800009 0.250000000 0.166799992
0.824400008 0.373199999 0.103500001
0.175600007 0.626800001 0.896499991
0.675599992 0.626800001 0.603500009
0.324400008 0.373199999 0.396499991
0.175600007 0.873199999 0.896499991
0.824400008 0.126800001 0.103500001
0.324400008 0.126800001 0.396499991
0.675599992 0.873199999 0.603500009
0.614600003 0.505100012 0.819599986
0.385399997 0.494899988 0.180399999
0.885399997 0.494899988 0.319599986
0.114600003 0.505100012 0.680400014
0.385399997 0.005100012 0.180399999
0.614600003 0.994899988 0.819599986
0.114600003 0.994899988 0.680400014
0.885399997 0.005100012 0.319599986
0.156700000 0.383599997 0.159799993
0.843299985 0.616400003 0.840200007
0.343299985 0.616400003 0.659799993
0.656700015 0.383599997 0.340200007
0.843299985 0.883599997 0.840200007
0.156700000 0.116400003 0.159799993
0.656700015 0.116400003 0.340200007
0.343299985 0.883599997 0.659799993
0.337399989 0.470400006 0.844799995
0.662600040 0.529600024 0.155200005
0.162600011 0.529600024 0.344799995
0.837399960 0.470400006 0.655200005
0.662600040 0.970399976 0.155200005
0.337399989 0.029599994 0.844799995
0.837399960 0.029599994 0.655200005
0.162600011 0.970399976 0.344799995
0.993399978 0.364899993 0.846599996
0.006600000 0.635100007 0.153400004
0.506600022 0.635100007 0.346599996
0.493400007 0.364899993 0.653400004
0.006600000 0.864899993 0.153400004
0.993399978 0.135100007 0.846599996
0.493400007 0.135100007 0.653400004
0.506600022 0.864899993 0.346599996
No output files have been received yet.