Data.zip
Data
Density.csv
514 Bytes
PBE
PCF
trajectory_1
PCF_PBE_trajectory_1_analyzed_02000.npy
1.5 GB
PCF_PBE_trajectory_1_analyzed_03089.npy
1.5 GB
PCF_PBE_trajectory_1_analyzed_04771.npy
1.5 GB
PCF_PBE_trajectory_1_analyzed_07368.npy
1.5 GB
PCF_PBE_trajectory_1_analyzed_100000.npy
1.5 GB
PCF_PBE_trajectory_1_analyzed_11380.npy
1.5 GB
PCF_PBE_trajectory_1_analyzed_17575.npy
1.5 GB
PCF_PBE_trajectory_1_analyzed_27144.npy
1.5 GB
PCF_PBE_trajectory_1_analyzed_41923.npy
1.5 GB
PCF_PBE_trajectory_1_analyzed_64748.npy
1.5 GB
PCF_PBE_trajectory_1_counts_analyzed_02000.npz
53.7 MB
PCF_PBE_trajectory_1_counts_analyzed_03089.npz
61.8 MB
PCF_PBE_trajectory_1_counts_analyzed_04771.npz
70.4 MB
PCF_PBE_trajectory_1_counts_analyzed_07368.npz
79.4 MB
PCF_PBE_trajectory_1_counts_analyzed_100000.npz
147.9 MB
PCF_PBE_trajectory_1_counts_analyzed_11380.npz
88.8 MB
PCF_PBE_trajectory_1_counts_analyzed_17575.npz
98.5 MB
PCF_PBE_trajectory_1_counts_analyzed_27144.npz
109.1 MB
PCF_PBE_trajectory_1_counts_analyzed_41923.npz
121.1 MB
PCF_PBE_trajectory_1_counts_analyzed_64748.npz
134.4 MB
trajectory_2
PCF_PBE_trajectory_2_analyzed_02000.npy
1.5 GB
PCF_PBE_trajectory_2_analyzed_03089.npy
1.5 GB
PCF_PBE_trajectory_2_analyzed_04771.npy
1.5 GB
PCF_PBE_trajectory_2_analyzed_07368.npy
1.5 GB
PCF_PBE_trajectory_2_analyzed_100000.npy
1.5 GB
PCF_PBE_trajectory_2_analyzed_11380.npy
1.5 GB
PCF_PBE_trajectory_2_analyzed_17575.npy
1.5 GB
PCF_PBE_trajectory_2_analyzed_27144.npy
1.5 GB
PCF_PBE_trajectory_2_analyzed_41923.npy
1.5 GB
PCF_PBE_trajectory_2_analyzed_64748.npy
1.5 GB
PCF_PBE_trajectory_2_counts_analyzed_02000.npz
53.6 MB
PCF_PBE_trajectory_2_counts_analyzed_03089.npz
61.9 MB
PCF_PBE_trajectory_2_counts_analyzed_04771.npz
70.4 MB
PCF_PBE_trajectory_2_counts_analyzed_07368.npz
79.4 MB
PCF_PBE_trajectory_2_counts_analyzed_100000.npz
148.0 MB
PCF_PBE_trajectory_2_counts_analyzed_11380.npz
88.7 MB
PCF_PBE_trajectory_2_counts_analyzed_17575.npz
98.6 MB
PCF_PBE_trajectory_2_counts_analyzed_27144.npz
109.0 MB
PCF_PBE_trajectory_2_counts_analyzed_41923.npz
120.9 MB
PCF_PBE_trajectory_2_counts_analyzed_64748.npz
134.4 MB
trajectory_3
PCF_PBE_trajectory_3_analyzed_02000.npy
1.5 GB
PCF_PBE_trajectory_3_analyzed_03089.npy
1.5 GB
PCF_PBE_trajectory_3_analyzed_04771.npy
1.5 GB
PCF_PBE_trajectory_3_analyzed_07368.npy
1.5 GB
PCF_PBE_trajectory_3_analyzed_100000.npy
1.5 GB
PCF_PBE_trajectory_3_analyzed_11380.npy
1.5 GB
PCF_PBE_trajectory_3_analyzed_17575.npy
1.5 GB
PCF_PBE_trajectory_3_analyzed_27144.npy
1.5 GB
PCF_PBE_trajectory_3_analyzed_41923.npy
1.5 GB
PCF_PBE_trajectory_3_analyzed_64748.npy
1.5 GB
PCF_PBE_trajectory_3_counts_analyzed_02000.npz
53.6 MB
PCF_PBE_trajectory_3_counts_analyzed_03089.npz
61.9 MB
PCF_PBE_trajectory_3_counts_analyzed_04771.npz
70.5 MB
PCF_PBE_trajectory_3_counts_analyzed_07368.npz
79.3 MB
PCF_PBE_trajectory_3_counts_analyzed_100000.npz
150.4 MB
PCF_PBE_trajectory_3_counts_analyzed_11380.npz
88.6 MB
PCF_PBE_trajectory_3_counts_analyzed_17575.npz
98.4 MB
PCF_PBE_trajectory_3_counts_analyzed_27144.npz
109.1 MB
PCF_PBE_trajectory_3_counts_analyzed_41923.npz
120.4 MB
PCF_PBE_trajectory_3_counts_analyzed_64748.npz
134.5 MB
stress
stress_tensor_PBE_1.txt
82.0 MB
stress_tensor_PBE_2.txt
82.0 MB
stress_tensor_PBE_3.txt
82.0 MB
stress_tensor_PBE_4.txt
82.0 MB
stress_tensor_PBE_5.txt
82.0 MB
trajectory
trajectory_1.lammpstrj
6.4 GB
trajectory_2.lammpstrj
6.4 GB
trajectory_3.lammpstrj
6.4 GB
trajectory_4.lammpstrj
6.4 GB
trajectory_5.lammpstrj
6.4 GB
PBE-D3
PCF
trajectory_1
PCF_PBE-D3_trajectory_1_analyzed_02000.npy
1.5 GB
PCF_PBE-D3_trajectory_1_analyzed_03089.npy
1.5 GB
PCF_PBE-D3_trajectory_1_analyzed_04771.npy
1.5 GB
PCF_PBE-D3_trajectory_1_analyzed_07368.npy
1.5 GB
PCF_PBE-D3_trajectory_1_analyzed_100000.npy
1.5 GB
PCF_PBE-D3_trajectory_1_analyzed_11380.npy
1.5 GB
PCF_PBE-D3_trajectory_1_analyzed_17575.npy
1.5 GB
PCF_PBE-D3_trajectory_1_analyzed_27144.npy
1.5 GB
PCF_PBE-D3_trajectory_1_analyzed_41923.npy
1.5 GB
PCF_PBE-D3_trajectory_1_analyzed_64748.npy
1.5 GB
PCF_PBE-D3_trajectory_1_counts_analyzed_02000.npz
57.8 MB
PCF_PBE-D3_trajectory_1_counts_analyzed_03089.npz
66.2 MB
PCF_PBE-D3_trajectory_1_counts_analyzed_04771.npz
75.0 MB
PCF_PBE-D3_trajectory_1_counts_analyzed_07368.npz
84.1 MB
PCF_PBE-D3_trajectory_1_counts_analyzed_100000.npz
148.1 MB
PCF_PBE-D3_trajectory_1_counts_analyzed_11380.npz
93.4 MB
PCF_PBE-D3_trajectory_1_counts_analyzed_17575.npz
103.0 MB
PCF_PBE-D3_trajectory_1_counts_analyzed_27144.npz
112.9 MB
PCF_PBE-D3_trajectory_1_counts_analyzed_41923.npz
123.7 MB
PCF_PBE-D3_trajectory_1_counts_analyzed_64748.npz
135.3 MB
trajectory_2
PCF_PBE-D3_trajectory_2_analyzed_02000.npy
1.5 GB
PCF_PBE-D3_trajectory_2_analyzed_03089.npy
1.5 GB
PCF_PBE-D3_trajectory_2_analyzed_04771.npy
1.5 GB
PCF_PBE-D3_trajectory_2_analyzed_07368.npy
1.5 GB
PCF_PBE-D3_trajectory_2_analyzed_100000.npy
1.5 GB
PCF_PBE-D3_trajectory_2_analyzed_11380.npy
1.5 GB
PCF_PBE-D3_trajectory_2_analyzed_17575.npy
1.5 GB
PCF_PBE-D3_trajectory_2_analyzed_27144.npy
1.5 GB
PCF_PBE-D3_trajectory_2_analyzed_41923.npy
1.5 GB
PCF_PBE-D3_trajectory_2_analyzed_64748.npy
1.5 GB
PCF_PBE-D3_trajectory_2_counts_analyzed_02000.npz
57.8 MB
PCF_PBE-D3_trajectory_2_counts_analyzed_03089.npz
66.2 MB
PCF_PBE-D3_trajectory_2_counts_analyzed_04771.npz
75.0 MB
PCF_PBE-D3_trajectory_2_counts_analyzed_07368.npz
84.0 MB
PCF_PBE-D3_trajectory_2_counts_analyzed_100000.npz
148.0 MB
PCF_PBE-D3_trajectory_2_counts_analyzed_11380.npz
93.2 MB
PCF_PBE-D3_trajectory_2_counts_analyzed_17575.npz
102.7 MB
PCF_PBE-D3_trajectory_2_counts_analyzed_27144.npz
112.8 MB
PCF_PBE-D3_trajectory_2_counts_analyzed_41923.npz
123.8 MB
PCF_PBE-D3_trajectory_2_counts_analyzed_64748.npz
135.4 MB
trajectory_3
PCF_PBE-D3_trajectory_3_analyzed_02000.npy
1.5 GB
PCF_PBE-D3_trajectory_3_analyzed_03089.npy
1.5 GB
PCF_PBE-D3_trajectory_3_analyzed_04771.npy
1.5 GB
PCF_PBE-D3_trajectory_3_analyzed_07368.npy
1.5 GB
PCF_PBE-D3_trajectory_3_analyzed_100000.npy
1.5 GB
PCF_PBE-D3_trajectory_3_analyzed_11380.npy
1.5 GB
PCF_PBE-D3_trajectory_3_analyzed_17575.npy
1.5 GB
PCF_PBE-D3_trajectory_3_analyzed_27144.npy
1.5 GB
PCF_PBE-D3_trajectory_3_analyzed_41923.npy
1.5 GB
PCF_PBE-D3_trajectory_3_analyzed_64748.npy
1.5 GB
PCF_PBE-D3_trajectory_3_counts_analyzed_02000.npz
57.7 MB
PCF_PBE-D3_trajectory_3_counts_analyzed_03089.npz
66.2 MB
PCF_PBE-D3_trajectory_3_counts_analyzed_04771.npz
75.0 MB
PCF_PBE-D3_trajectory_3_counts_analyzed_07368.npz
83.9 MB
PCF_PBE-D3_trajectory_3_counts_analyzed_100000.npz
147.7 MB
PCF_PBE-D3_trajectory_3_counts_analyzed_11380.npz
93.2 MB
PCF_PBE-D3_trajectory_3_counts_analyzed_17575.npz
102.9 MB
PCF_PBE-D3_trajectory_3_counts_analyzed_27144.npz
112.8 MB
PCF_PBE-D3_trajectory_3_counts_analyzed_41923.npz
123.7 MB
PCF_PBE-D3_trajectory_3_counts_analyzed_64748.npz
135.3 MB
stress
stress_tensor_PBE-D3_1.txt
82.0 MB
stress_tensor_PBE-D3_2.txt
82.0 MB
stress_tensor_PBE-D3_3.txt
82.0 MB
stress_tensor_PBE-D3_4.txt
82.0 MB
stress_tensor_PBE-D3_5.txt
82.0 MB
trajectory
trajectory_1.lammpstrj
6.4 GB
trajectory_2.lammpstrj
6.3 GB
trajectory_3.lammpstrj
6.3 GB
trajectory_4.lammpstrj
6.3 GB
trajectory_5.lammpstrj
6.4 GB
PBE-TS
PCF
trajectory_1
PCF_PBE-TS_trajectory_1_analyzed_02000.npy
1.5 GB
PCF_PBE-TS_trajectory_1_analyzed_03089.npy
1.5 GB
PCF_PBE-TS_trajectory_1_analyzed_04771.npy
1.5 GB
PCF_PBE-TS_trajectory_1_analyzed_07368.npy
1.5 GB
PCF_PBE-TS_trajectory_1_analyzed_100000.npy
1.5 GB
PCF_PBE-TS_trajectory_1_analyzed_11380.npy
1.5 GB
PCF_PBE-TS_trajectory_1_analyzed_17575.npy
1.5 GB
PCF_PBE-TS_trajectory_1_analyzed_27144.npy
1.5 GB
PCF_PBE-TS_trajectory_1_analyzed_41923.npy
1.5 GB
PCF_PBE-TS_trajectory_1_analyzed_64748.npy
1.5 GB
PCF_PBE-TS_trajectory_1_counts_analyzed_02000.npz
56.8 MB
PCF_PBE-TS_trajectory_1_counts_analyzed_03089.npz
65.2 MB
PCF_PBE-TS_trajectory_1_counts_analyzed_04771.npz
73.8 MB
PCF_PBE-TS_trajectory_1_counts_analyzed_07368.npz
82.7 MB
PCF_PBE-TS_trajectory_1_counts_analyzed_100000.npz
148.8 MB
PCF_PBE-TS_trajectory_1_counts_analyzed_11380.npz
91.9 MB
PCF_PBE-TS_trajectory_1_counts_analyzed_17575.npz
101.6 MB
PCF_PBE-TS_trajectory_1_counts_analyzed_27144.npz
111.7 MB
PCF_PBE-TS_trajectory_1_counts_analyzed_41923.npz
123.1 MB
PCF_PBE-TS_trajectory_1_counts_analyzed_64748.npz
135.6 MB
trajectory_2
PCF_PBE-TS_trajectory_2_analyzed_02000.npy
1.5 GB
PCF_PBE-TS_trajectory_2_analyzed_03089.npy
1.5 GB
PCF_PBE-TS_trajectory_2_analyzed_04771.npy
1.5 GB
PCF_PBE-TS_trajectory_2_analyzed_07368.npy
1.5 GB
PCF_PBE-TS_trajectory_2_analyzed_100000.npy
1.5 GB
PCF_PBE-TS_trajectory_2_analyzed_11380.npy
1.5 GB
PCF_PBE-TS_trajectory_2_analyzed_17575.npy
1.5 GB
PCF_PBE-TS_trajectory_2_analyzed_27144.npy
1.5 GB
PCF_PBE-TS_trajectory_2_analyzed_41923.npy
1.5 GB
PCF_PBE-TS_trajectory_2_analyzed_64748.npy
1.5 GB
PCF_PBE-TS_trajectory_2_counts_analyzed_02000.npz
56.8 MB
PCF_PBE-TS_trajectory_2_counts_analyzed_03089.npz
65.2 MB
PCF_PBE-TS_trajectory_2_counts_analyzed_04771.npz
74.0 MB
PCF_PBE-TS_trajectory_2_counts_analyzed_07368.npz
82.9 MB
PCF_PBE-TS_trajectory_2_counts_analyzed_100000.npz
149.8 MB
PCF_PBE-TS_trajectory_2_counts_analyzed_11380.npz
92.3 MB
PCF_PBE-TS_trajectory_2_counts_analyzed_17575.npz
102.2 MB
PCF_PBE-TS_trajectory_2_counts_analyzed_27144.npz
112.4 MB
PCF_PBE-TS_trajectory_2_counts_analyzed_41923.npz
123.6 MB
PCF_PBE-TS_trajectory_2_counts_analyzed_64748.npz
135.9 MB
trajectory_3
PCF_PBE-TS_trajectory_3_analyzed_02000.npy
1.5 GB
PCF_PBE-TS_trajectory_3_analyzed_03089.npy
1.5 GB
PCF_PBE-TS_trajectory_3_analyzed_04771.npy
1.5 GB
PCF_PBE-TS_trajectory_3_analyzed_07368.npy
1.5 GB
PCF_PBE-TS_trajectory_3_analyzed_100000.npy
1.5 GB
PCF_PBE-TS_trajectory_3_analyzed_11380.npy
1.5 GB
PCF_PBE-TS_trajectory_3_analyzed_17575.npy
1.5 GB
PCF_PBE-TS_trajectory_3_analyzed_27144.npy
1.5 GB
PCF_PBE-TS_trajectory_3_analyzed_41923.npy
1.5 GB
PCF_PBE-TS_trajectory_3_analyzed_64748.npy
1.5 GB
PCF_PBE-TS_trajectory_3_counts_analyzed_02000.npz
56.8 MB
PCF_PBE-TS_trajectory_3_counts_analyzed_03089.npz
65.2 MB
PCF_PBE-TS_trajectory_3_counts_analyzed_04771.npz
73.9 MB
PCF_PBE-TS_trajectory_3_counts_analyzed_07368.npz
82.8 MB
PCF_PBE-TS_trajectory_3_counts_analyzed_100000.npz
148.8 MB
PCF_PBE-TS_trajectory_3_counts_analyzed_11380.npz
92.1 MB
PCF_PBE-TS_trajectory_3_counts_analyzed_17575.npz
101.7 MB
PCF_PBE-TS_trajectory_3_counts_analyzed_27144.npz
112.0 MB
PCF_PBE-TS_trajectory_3_counts_analyzed_41923.npz
123.2 MB
PCF_PBE-TS_trajectory_3_counts_analyzed_64748.npz
135.6 MB
stress
stress_tensor_PBE-TS_1.txt
82.0 MB
stress_tensor_PBE-TS_2.txt
82.0 MB
stress_tensor_PBE-TS_3.txt
82.0 MB
stress_tensor_PBE-TS_4.txt
82.0 MB
stress_tensor_PBE-TS_5.txt
82.0 MB
trajectory
trajectory_1.lammpstrj
6.4 GB
trajectory_2.lammpstrj
6.3 GB
trajectory_3.lammpstrj
6.3 GB
trajectory_4.lammpstrj
6.3 GB
trajectory_5.lammpstrj
6.4 GB
R2SCAN+rVV10
PCF
trajectory_1
PCF_R2SCAN+rVV10_trajectory_1_analyzed_02000.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_1_analyzed_03089.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_1_analyzed_04771.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_1_analyzed_07368.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_1_analyzed_100000.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_1_analyzed_11380.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_1_analyzed_17575.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_1_analyzed_27144.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_1_analyzed_41923.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_1_analyzed_64748.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_1_counts_analyzed_02000.npz
61.5 MB
PCF_R2SCAN+rVV10_trajectory_1_counts_analyzed_03089.npz
70.1 MB
PCF_R2SCAN+rVV10_trajectory_1_counts_analyzed_04771.npz
78.9 MB
PCF_R2SCAN+rVV10_trajectory_1_counts_analyzed_07368.npz
87.9 MB
PCF_R2SCAN+rVV10_trajectory_1_counts_analyzed_100000.npz
150.1 MB
PCF_R2SCAN+rVV10_trajectory_1_counts_analyzed_11380.npz
97.0 MB
PCF_R2SCAN+rVV10_trajectory_1_counts_analyzed_17575.npz
106.4 MB
PCF_R2SCAN+rVV10_trajectory_1_counts_analyzed_27144.npz
116.2 MB
PCF_R2SCAN+rVV10_trajectory_1_counts_analyzed_41923.npz
126.6 MB
PCF_R2SCAN+rVV10_trajectory_1_counts_analyzed_64748.npz
137.8 MB
trajectory_2
PCF_R2SCAN+rVV10_trajectory_2_analyzed_02000.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_2_analyzed_03089.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_2_analyzed_04771.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_2_analyzed_07368.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_2_analyzed_100000.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_2_analyzed_11380.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_2_analyzed_17575.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_2_analyzed_27144.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_2_analyzed_41923.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_2_analyzed_64748.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_2_counts_analyzed_02000.npz
61.5 MB
PCF_R2SCAN+rVV10_trajectory_2_counts_analyzed_03089.npz
70.1 MB
PCF_R2SCAN+rVV10_trajectory_2_counts_analyzed_04771.npz
78.9 MB
PCF_R2SCAN+rVV10_trajectory_2_counts_analyzed_07368.npz
87.8 MB
PCF_R2SCAN+rVV10_trajectory_2_counts_analyzed_100000.npz
150.2 MB
PCF_R2SCAN+rVV10_trajectory_2_counts_analyzed_11380.npz
97.0 MB
PCF_R2SCAN+rVV10_trajectory_2_counts_analyzed_17575.npz
106.4 MB
PCF_R2SCAN+rVV10_trajectory_2_counts_analyzed_27144.npz
116.2 MB
PCF_R2SCAN+rVV10_trajectory_2_counts_analyzed_41923.npz
126.6 MB
PCF_R2SCAN+rVV10_trajectory_2_counts_analyzed_64748.npz
137.8 MB
trajectory_3
PCF_R2SCAN+rVV10_trajectory_3_analyzed_02000.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_3_analyzed_03089.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_3_analyzed_04771.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_3_analyzed_07368.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_3_analyzed_100000.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_3_analyzed_11380.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_3_analyzed_17575.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_3_analyzed_27144.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_3_analyzed_41923.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_3_analyzed_64748.npy
1.5 GB
PCF_R2SCAN+rVV10_trajectory_3_counts_analyzed_02000.npz
61.5 MB
PCF_R2SCAN+rVV10_trajectory_3_counts_analyzed_03089.npz
70.1 MB
PCF_R2SCAN+rVV10_trajectory_3_counts_analyzed_04771.npz
78.9 MB
PCF_R2SCAN+rVV10_trajectory_3_counts_analyzed_07368.npz
87.9 MB
PCF_R2SCAN+rVV10_trajectory_3_counts_analyzed_100000.npz
150.2 MB
PCF_R2SCAN+rVV10_trajectory_3_counts_analyzed_11380.npz
97.1 MB
PCF_R2SCAN+rVV10_trajectory_3_counts_analyzed_17575.npz
106.5 MB
PCF_R2SCAN+rVV10_trajectory_3_counts_analyzed_27144.npz
116.3 MB
PCF_R2SCAN+rVV10_trajectory_3_counts_analyzed_41923.npz
126.6 MB
PCF_R2SCAN+rVV10_trajectory_3_counts_analyzed_64748.npz
137.9 MB
stress
stress_tensor_R2SCAN+rVV10_1.txt
82.0 MB
stress_tensor_R2SCAN+rVV10_2.txt
82.0 MB
stress_tensor_R2SCAN+rVV10_3.txt
82.0 MB
stress_tensor_R2SCAN+rVV10_4.txt
82.0 MB
stress_tensor_R2SCAN+rVV10_5.txt
82.0 MB
trajectory
trajectory_1.lammpstrj
6.4 GB
trajectory_2.lammpstrj
6.4 GB
trajectory_3.lammpstrj
6.4 GB
trajectory_4.lammpstrj
6.4 GB
trajectory_5.lammpstrj
6.4 GB
RPBE
PCF
trajectory_1
PCF_RPBE_trajectory_1_analyzed_02000.npy
1.5 GB
PCF_RPBE_trajectory_1_analyzed_03089.npy
1.5 GB
PCF_RPBE_trajectory_1_analyzed_04771.npy
1.5 GB
PCF_RPBE_trajectory_1_analyzed_07368.npy
1.5 GB
PCF_RPBE_trajectory_1_analyzed_100000.npy
1.5 GB
PCF_RPBE_trajectory_1_analyzed_11380.npy
1.5 GB
PCF_RPBE_trajectory_1_analyzed_17575.npy
1.5 GB
PCF_RPBE_trajectory_1_analyzed_27144.npy
1.5 GB
PCF_RPBE_trajectory_1_analyzed_41923.npy
1.5 GB
PCF_RPBE_trajectory_1_analyzed_64748.npy
1.5 GB
PCF_RPBE_trajectory_1_counts_analyzed_02000.npz
50.8 MB
PCF_RPBE_trajectory_1_counts_analyzed_03089.npz
58.8 MB
PCF_RPBE_trajectory_1_counts_analyzed_04771.npz
67.0 MB
PCF_RPBE_trajectory_1_counts_analyzed_07368.npz
75.3 MB
PCF_RPBE_trajectory_1_counts_analyzed_100000.npz
132.2 MB
PCF_RPBE_trajectory_1_counts_analyzed_11380.npz
83.8 MB
PCF_RPBE_trajectory_1_counts_analyzed_17575.npz
92.6 MB
PCF_RPBE_trajectory_1_counts_analyzed_27144.npz
101.7 MB
PCF_RPBE_trajectory_1_counts_analyzed_41923.npz
111.1 MB
PCF_RPBE_trajectory_1_counts_analyzed_64748.npz
121.2 MB
trajectory_2
PCF_RPBE_trajectory_2_analyzed_02000.npy
1.5 GB
PCF_RPBE_trajectory_2_analyzed_03089.npy
1.5 GB
PCF_RPBE_trajectory_2_analyzed_04771.npy
1.5 GB
PCF_RPBE_trajectory_2_analyzed_07368.npy
1.5 GB
PCF_RPBE_trajectory_2_analyzed_100000.npy
1.5 GB
PCF_RPBE_trajectory_2_analyzed_11380.npy
1.5 GB
PCF_RPBE_trajectory_2_analyzed_17575.npy
1.5 GB
PCF_RPBE_trajectory_2_analyzed_27144.npy
1.5 GB
PCF_RPBE_trajectory_2_analyzed_41923.npy
1.5 GB
PCF_RPBE_trajectory_2_analyzed_64748.npy
1.5 GB
PCF_RPBE_trajectory_2_counts_analyzed_02000.npz
50.8 MB
PCF_RPBE_trajectory_2_counts_analyzed_03089.npz
58.8 MB
PCF_RPBE_trajectory_2_counts_analyzed_04771.npz
66.9 MB
PCF_RPBE_trajectory_2_counts_analyzed_07368.npz
75.3 MB
PCF_RPBE_trajectory_2_counts_analyzed_100000.npz
132.2 MB
PCF_RPBE_trajectory_2_counts_analyzed_11380.npz
83.9 MB
PCF_RPBE_trajectory_2_counts_analyzed_17575.npz
92.6 MB
PCF_RPBE_trajectory_2_counts_analyzed_27144.npz
101.7 MB
PCF_RPBE_trajectory_2_counts_analyzed_41923.npz
111.1 MB
PCF_RPBE_trajectory_2_counts_analyzed_64748.npz
121.2 MB
trajectory_3
PCF_RPBE_trajectory_3_analyzed_02000.npy
1.5 GB
PCF_RPBE_trajectory_3_analyzed_03089.npy
1.5 GB
PCF_RPBE_trajectory_3_analyzed_04771.npy
1.5 GB
PCF_RPBE_trajectory_3_analyzed_07368.npy
1.5 GB
PCF_RPBE_trajectory_3_analyzed_100000.npy
1.5 GB
PCF_RPBE_trajectory_3_analyzed_11380.npy
1.5 GB
PCF_RPBE_trajectory_3_analyzed_17575.npy
1.5 GB
PCF_RPBE_trajectory_3_analyzed_27144.npy
1.5 GB
PCF_RPBE_trajectory_3_analyzed_41923.npy
1.5 GB
PCF_RPBE_trajectory_3_analyzed_64748.npy
1.5 GB
PCF_RPBE_trajectory_3_counts_analyzed_02000.npz
50.9 MB
PCF_RPBE_trajectory_3_counts_analyzed_03089.npz
58.8 MB
PCF_RPBE_trajectory_3_counts_analyzed_04771.npz
67.0 MB
PCF_RPBE_trajectory_3_counts_analyzed_07368.npz
75.3 MB
PCF_RPBE_trajectory_3_counts_analyzed_100000.npz
132.2 MB
PCF_RPBE_trajectory_3_counts_analyzed_11380.npz
83.8 MB
PCF_RPBE_trajectory_3_counts_analyzed_17575.npz
92.6 MB
PCF_RPBE_trajectory_3_counts_analyzed_27144.npz
101.6 MB
PCF_RPBE_trajectory_3_counts_analyzed_41923.npz
111.1 MB
PCF_RPBE_trajectory_3_counts_analyzed_64748.npz
121.1 MB
stress
stress_tensor_RPBE_1.txt
82.0 MB
stress_tensor_RPBE_2.txt
82.0 MB
stress_tensor_RPBE_3.txt
82.0 MB
stress_tensor_RPBE_4.txt
82.0 MB
stress_tensor_RPBE_5.txt
82.0 MB
trajectory
trajectory_1.lammpstrj
6.5 GB
trajectory_2.lammpstrj
6.5 GB
trajectory_3.lammpstrj
6.5 GB
trajectory_4.lammpstrj
6.5 GB
trajectory_5.lammpstrj
6.5 GB
RPBE-D3
PCF
trajectory_1
PCF_RPBE-D3_trajectory_1_analyzed_02000.npy
1.5 GB
PCF_RPBE-D3_trajectory_1_analyzed_03089.npy
1.5 GB
PCF_RPBE-D3_trajectory_1_analyzed_04771.npy
1.5 GB
PCF_RPBE-D3_trajectory_1_analyzed_07368.npy
1.5 GB
PCF_RPBE-D3_trajectory_1_analyzed_100000.npy
1.5 GB
PCF_RPBE-D3_trajectory_1_analyzed_11380.npy
1.5 GB
PCF_RPBE-D3_trajectory_1_analyzed_17575.npy
1.5 GB
PCF_RPBE-D3_trajectory_1_analyzed_27144.npy
1.5 GB
PCF_RPBE-D3_trajectory_1_analyzed_41923.npy
1.5 GB
PCF_RPBE-D3_trajectory_1_analyzed_64748.npy
1.5 GB
PCF_RPBE-D3_trajectory_1_counts_analyzed_02000.npz
56.2 MB
PCF_RPBE-D3_trajectory_1_counts_analyzed_03089.npz
64.6 MB
PCF_RPBE-D3_trajectory_1_counts_analyzed_04771.npz
73.1 MB
PCF_RPBE-D3_trajectory_1_counts_analyzed_07368.npz
81.8 MB
PCF_RPBE-D3_trajectory_1_counts_analyzed_100000.npz
140.4 MB
PCF_RPBE-D3_trajectory_1_counts_analyzed_11380.npz
90.7 MB
PCF_RPBE-D3_trajectory_1_counts_analyzed_17575.npz
99.7 MB
PCF_RPBE-D3_trajectory_1_counts_analyzed_27144.npz
109.0 MB
PCF_RPBE-D3_trajectory_1_counts_analyzed_41923.npz
118.7 MB
PCF_RPBE-D3_trajectory_1_counts_analyzed_64748.npz
129.1 MB
trajectory_2
PCF_RPBE-D3_trajectory_2_analyzed_02000.npy
1.5 GB
PCF_RPBE-D3_trajectory_2_analyzed_03089.npy
1.5 GB
PCF_RPBE-D3_trajectory_2_analyzed_04771.npy
1.5 GB
PCF_RPBE-D3_trajectory_2_analyzed_07368.npy
1.5 GB
PCF_RPBE-D3_trajectory_2_analyzed_100000.npy
1.5 GB
PCF_RPBE-D3_trajectory_2_analyzed_11380.npy
1.5 GB
PCF_RPBE-D3_trajectory_2_analyzed_17575.npy
1.5 GB
PCF_RPBE-D3_trajectory_2_analyzed_27144.npy
1.5 GB
PCF_RPBE-D3_trajectory_2_analyzed_41923.npy
1.5 GB
PCF_RPBE-D3_trajectory_2_analyzed_64748.npy
1.5 GB
PCF_RPBE-D3_trajectory_2_counts_analyzed_02000.npz
56.2 MB
PCF_RPBE-D3_trajectory_2_counts_analyzed_03089.npz
64.6 MB
PCF_RPBE-D3_trajectory_2_counts_analyzed_04771.npz
73.1 MB
PCF_RPBE-D3_trajectory_2_counts_analyzed_07368.npz
81.8 MB
PCF_RPBE-D3_trajectory_2_counts_analyzed_100000.npz
140.4 MB
PCF_RPBE-D3_trajectory_2_counts_analyzed_11380.npz
90.6 MB
PCF_RPBE-D3_trajectory_2_counts_analyzed_17575.npz
99.7 MB
PCF_RPBE-D3_trajectory_2_counts_analyzed_27144.npz
109.0 MB
PCF_RPBE-D3_trajectory_2_counts_analyzed_41923.npz
118.7 MB
PCF_RPBE-D3_trajectory_2_counts_analyzed_64748.npz
129.0 MB
trajectory_3
PCF_RPBE-D3_trajectory_3_analyzed_02000.npy
1.5 GB
PCF_RPBE-D3_trajectory_3_analyzed_03089.npy
1.5 GB
PCF_RPBE-D3_trajectory_3_analyzed_04771.npy
1.5 GB
PCF_RPBE-D3_trajectory_3_analyzed_07368.npy
1.5 GB
PCF_RPBE-D3_trajectory_3_analyzed_100000.npy
1.5 GB
PCF_RPBE-D3_trajectory_3_analyzed_11380.npy
1.5 GB
PCF_RPBE-D3_trajectory_3_analyzed_17575.npy
1.5 GB
PCF_RPBE-D3_trajectory_3_analyzed_27144.npy
1.5 GB
PCF_RPBE-D3_trajectory_3_analyzed_41923.npy
1.5 GB
PCF_RPBE-D3_trajectory_3_analyzed_64748.npy
1.5 GB
PCF_RPBE-D3_trajectory_3_counts_analyzed_02000.npz
56.2 MB
PCF_RPBE-D3_trajectory_3_counts_analyzed_03089.npz
64.5 MB
PCF_RPBE-D3_trajectory_3_counts_analyzed_04771.npz
73.1 MB
PCF_RPBE-D3_trajectory_3_counts_analyzed_07368.npz
81.8 MB
PCF_RPBE-D3_trajectory_3_counts_analyzed_100000.npz
140.4 MB
PCF_RPBE-D3_trajectory_3_counts_analyzed_11380.npz
90.6 MB
PCF_RPBE-D3_trajectory_3_counts_analyzed_17575.npz
99.7 MB
PCF_RPBE-D3_trajectory_3_counts_analyzed_27144.npz
109.0 MB
PCF_RPBE-D3_trajectory_3_counts_analyzed_41923.npz
118.7 MB
PCF_RPBE-D3_trajectory_3_counts_analyzed_64748.npz
129.0 MB
stress
stress_tensor_RPBE-D3_1.txt
82.0 MB
stress_tensor_RPBE-D3_2.txt
82.0 MB
stress_tensor_RPBE-D3_3.txt
82.0 MB
stress_tensor_RPBE-D3_4.txt
82.0 MB
stress_tensor_RPBE-D3_5.txt
82.0 MB
trajectory
trajectory_1.lammpstrj
6.4 GB
trajectory_2.lammpstrj
6.4 GB
trajectory_3.lammpstrj
6.4 GB
trajectory_4.lammpstrj
6.4 GB
trajectory_5.lammpstrj
6.4 GB
SPCE
PCF
trajectory_1
PCF_SPCE_trajectory_1_analyzed_02000.npy
1.5 GB
PCF_SPCE_trajectory_1_analyzed_03089.npy
1.5 GB
PCF_SPCE_trajectory_1_analyzed_04771.npy
1.5 GB
PCF_SPCE_trajectory_1_analyzed_07368.npy
1.5 GB
PCF_SPCE_trajectory_1_analyzed_100000.npy
1.5 GB
PCF_SPCE_trajectory_1_analyzed_11380.npy
1.5 GB
PCF_SPCE_trajectory_1_analyzed_17575.npy
1.5 GB
PCF_SPCE_trajectory_1_analyzed_27144.npy
1.5 GB
PCF_SPCE_trajectory_1_analyzed_41923.npy
1.5 GB
PCF_SPCE_trajectory_1_analyzed_64748.npy
1.5 GB
PCF_SPCE_trajectory_1_counts_analyzed_02000.npz
56.1 MB
PCF_SPCE_trajectory_1_counts_analyzed_03089.npz
64.4 MB
PCF_SPCE_trajectory_1_counts_analyzed_04771.npz
72.8 MB
PCF_SPCE_trajectory_1_counts_analyzed_07368.npz
81.4 MB
PCF_SPCE_trajectory_1_counts_analyzed_100000.npz
137.9 MB
PCF_SPCE_trajectory_1_counts_analyzed_11380.npz
90.0 MB
PCF_SPCE_trajectory_1_counts_analyzed_17575.npz
98.9 MB
PCF_SPCE_trajectory_1_counts_analyzed_27144.npz
107.9 MB
PCF_SPCE_trajectory_1_counts_analyzed_41923.npz
117.2 MB
PCF_SPCE_trajectory_1_counts_analyzed_64748.npz
127.1 MB
trajectory_2
PCF_SPCE_trajectory_2_analyzed_02000.npy
1.5 GB
PCF_SPCE_trajectory_2_analyzed_03089.npy
1.5 GB
PCF_SPCE_trajectory_2_analyzed_04771.npy
1.5 GB
PCF_SPCE_trajectory_2_analyzed_07368.npy
1.5 GB
PCF_SPCE_trajectory_2_analyzed_100000.npy
1.5 GB
PCF_SPCE_trajectory_2_analyzed_11380.npy
1.5 GB
PCF_SPCE_trajectory_2_analyzed_17575.npy
1.5 GB
PCF_SPCE_trajectory_2_analyzed_27144.npy
1.5 GB
PCF_SPCE_trajectory_2_analyzed_41923.npy
1.5 GB
PCF_SPCE_trajectory_2_analyzed_64748.npy
1.5 GB
PCF_SPCE_trajectory_2_counts_analyzed_02000.npz
56.1 MB
PCF_SPCE_trajectory_2_counts_analyzed_03089.npz
64.4 MB
PCF_SPCE_trajectory_2_counts_analyzed_04771.npz
72.8 MB
PCF_SPCE_trajectory_2_counts_analyzed_07368.npz
81.4 MB
PCF_SPCE_trajectory_2_counts_analyzed_100000.npz
137.9 MB
PCF_SPCE_trajectory_2_counts_analyzed_11380.npz
90.1 MB
PCF_SPCE_trajectory_2_counts_analyzed_17575.npz
98.9 MB
PCF_SPCE_trajectory_2_counts_analyzed_27144.npz
107.9 MB
PCF_SPCE_trajectory_2_counts_analyzed_41923.npz
117.3 MB
PCF_SPCE_trajectory_2_counts_analyzed_64748.npz
127.2 MB
trajectory_3
PCF_SPCE_trajectory_3_analyzed_02000.npy
1.5 GB
PCF_SPCE_trajectory_3_analyzed_03089.npy
1.5 GB
PCF_SPCE_trajectory_3_analyzed_04771.npy
1.5 GB
PCF_SPCE_trajectory_3_analyzed_07368.npy
1.5 GB
PCF_SPCE_trajectory_3_analyzed_100000.npy
1.5 GB
PCF_SPCE_trajectory_3_analyzed_11380.npy
1.5 GB
PCF_SPCE_trajectory_3_analyzed_17575.npy
1.5 GB
PCF_SPCE_trajectory_3_analyzed_27144.npy
1.5 GB
PCF_SPCE_trajectory_3_analyzed_41923.npy
1.5 GB
PCF_SPCE_trajectory_3_analyzed_64748.npy
1.5 GB
PCF_SPCE_trajectory_3_counts_analyzed_02000.npz
56.0 MB
PCF_SPCE_trajectory_3_counts_analyzed_03089.npz
64.4 MB
PCF_SPCE_trajectory_3_counts_analyzed_04771.npz
72.8 MB
PCF_SPCE_trajectory_3_counts_analyzed_07368.npz
81.4 MB
PCF_SPCE_trajectory_3_counts_analyzed_100000.npz
137.9 MB
PCF_SPCE_trajectory_3_counts_analyzed_11380.npz
90.0 MB
PCF_SPCE_trajectory_3_counts_analyzed_17575.npz
98.9 MB
PCF_SPCE_trajectory_3_counts_analyzed_27144.npz
107.9 MB
PCF_SPCE_trajectory_3_counts_analyzed_41923.npz
117.2 MB
PCF_SPCE_trajectory_3_counts_analyzed_64748.npz
127.2 MB
stress
stress_tensor_SPCE_1.txt
164.0 MB
stress_tensor_SPCE_2.txt
164.0 MB
stress_tensor_SPCE_3.txt
164.0 MB
stress_tensor_SPCE_4.txt
164.0 MB
stress_tensor_SPCE_5.txt
164.0 MB
trajectory
trajectory_1.lammpstrj
4.8 GB
trajectory_2.lammpstrj
4.8 GB
trajectory_3.lammpstrj
4.8 GB
trajectory_4.lammpstrj
4.8 GB
trajectory_5.lammpstrj
4.8 GB
vdW-DF-cx
PCF
trajectory_1
PCF_vdW-DF-cx_trajectory_1_analyzed_02000.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_1_analyzed_03089.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_1_analyzed_04771.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_1_analyzed_07368.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_1_analyzed_100000.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_1_analyzed_11380.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_1_analyzed_17575.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_1_analyzed_27144.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_1_analyzed_41923.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_1_analyzed_64748.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_1_counts_analyzed_02000.npz
57.5 MB
PCF_vdW-DF-cx_trajectory_1_counts_analyzed_03089.npz
65.9 MB
PCF_vdW-DF-cx_trajectory_1_counts_analyzed_04771.npz
74.5 MB
PCF_vdW-DF-cx_trajectory_1_counts_analyzed_07368.npz
83.4 MB
PCF_vdW-DF-cx_trajectory_1_counts_analyzed_100000.npz
146.2 MB
PCF_vdW-DF-cx_trajectory_1_counts_analyzed_11380.npz
92.5 MB
PCF_vdW-DF-cx_trajectory_1_counts_analyzed_17575.npz
101.9 MB
PCF_vdW-DF-cx_trajectory_1_counts_analyzed_27144.npz
111.8 MB
PCF_vdW-DF-cx_trajectory_1_counts_analyzed_41923.npz
122.2 MB
PCF_vdW-DF-cx_trajectory_1_counts_analyzed_64748.npz
133.6 MB
trajectory_2
PCF_vdW-DF-cx_trajectory_2_analyzed_02000.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_2_analyzed_03089.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_2_analyzed_04771.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_2_analyzed_07368.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_2_analyzed_100000.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_2_analyzed_11380.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_2_analyzed_17575.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_2_analyzed_27144.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_2_analyzed_41923.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_2_analyzed_64748.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_2_counts_analyzed_02000.npz
57.5 MB
PCF_vdW-DF-cx_trajectory_2_counts_analyzed_03089.npz
65.9 MB
PCF_vdW-DF-cx_trajectory_2_counts_analyzed_04771.npz
74.6 MB
PCF_vdW-DF-cx_trajectory_2_counts_analyzed_07368.npz
83.4 MB
PCF_vdW-DF-cx_trajectory_2_counts_analyzed_100000.npz
147.0 MB
PCF_vdW-DF-cx_trajectory_2_counts_analyzed_11380.npz
92.5 MB
PCF_vdW-DF-cx_trajectory_2_counts_analyzed_17575.npz
101.9 MB
PCF_vdW-DF-cx_trajectory_2_counts_analyzed_27144.npz
111.7 MB
PCF_vdW-DF-cx_trajectory_2_counts_analyzed_41923.npz
122.4 MB
PCF_vdW-DF-cx_trajectory_2_counts_analyzed_64748.npz
134.1 MB
trajectory_3
PCF_vdW-DF-cx_trajectory_3_analyzed_02000.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_3_analyzed_03089.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_3_analyzed_04771.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_3_analyzed_07368.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_3_analyzed_100000.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_3_analyzed_11380.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_3_analyzed_17575.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_3_analyzed_27144.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_3_analyzed_41923.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_3_analyzed_64748.npy
1.5 GB
PCF_vdW-DF-cx_trajectory_3_counts_analyzed_02000.npz
57.5 MB
PCF_vdW-DF-cx_trajectory_3_counts_analyzed_03089.npz
65.9 MB
PCF_vdW-DF-cx_trajectory_3_counts_analyzed_04771.npz
74.6 MB
PCF_vdW-DF-cx_trajectory_3_counts_analyzed_07368.npz
83.4 MB
PCF_vdW-DF-cx_trajectory_3_counts_analyzed_100000.npz
146.2 MB
PCF_vdW-DF-cx_trajectory_3_counts_analyzed_11380.npz
92.5 MB
PCF_vdW-DF-cx_trajectory_3_counts_analyzed_17575.npz
102.0 MB
PCF_vdW-DF-cx_trajectory_3_counts_analyzed_27144.npz
111.7 MB
PCF_vdW-DF-cx_trajectory_3_counts_analyzed_41923.npz
122.2 MB
PCF_vdW-DF-cx_trajectory_3_counts_analyzed_64748.npz
133.6 MB
stress
stress_tensor_vdW-DF-cx_1.txt
82.0 MB
stress_tensor_vdW-DF-cx_2.txt
82.0 MB
stress_tensor_vdW-DF-cx_3.txt
82.0 MB
stress_tensor_vdW-DF-cx_4.txt
82.0 MB
stress_tensor_vdW-DF-cx_5.txt
82.0 MB
trajectory
trajectory_1.lammpstrj
6.4 GB
trajectory_2.lammpstrj
6.4 GB
trajectory_3.lammpstrj
6.4 GB
trajectory_4.lammpstrj
6.4 GB
trajectory_5.lammpstrj
6.4 GB