PBE_databases.zip
PBE
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6.1 kB
MeOH
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6.1 kB
training
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6.1 kB
1
box.raw
4.0 kB
coord.raw
2.9 MB
energy.raw
1.8 kB
force.raw
4.8 MB
raw_to_set.sh
2.5 kB
set.000
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3.3 kB
coord.npy
972.1 kB
energy.npy
476 Bytes
force.npy
972.1 kB
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2.8 kB
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29.0 kB
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28.6 MB
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17.4 kB
force.raw
48.6 MB
raw_to_set.sh
2.5 kB
set.000
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31.8 kB
coord.npy
9.8 MB
energy.npy
3.6 kB
force.npy
9.8 MB
toto.py
163 Bytes
type.raw
1.9 kB
type2.raw
2.8 kB
3
box.raw
736 Bytes
coord.raw
428.1 kB
energy.raw
335 Bytes
force.raw
885.2 kB
set.000
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704 Bytes
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178.9 kB
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192 Bytes
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178.9 kB
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2.8 kB
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2.3 MB
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1.8 kB
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4.7 MB
set.000
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3.2 kB
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949.7 kB
energy.npy
468 Bytes
force.npy
949.7 kB
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2.8 kB
5
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93.8 kB
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92.6 MB
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56.4 kB
force.raw
156.8 MB
raw_to_set.sh
2.5 kB
set.000
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102.5 kB
coord.npy
31.8 MB
energy.npy
11.5 kB
force.npy
31.8 MB
toto.py
163 Bytes
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1.9 kB
type2.raw
2.8 kB
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23.3 kB
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23.3 MB
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14.0 kB
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39.1 MB
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2.5 kB
set.000
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25.6 kB
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7.9 MB
energy.npy
3.0 kB
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7.9 MB
toto.py
163 Bytes
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1.9 kB
type2.raw
2.8 kB
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box.raw
1.6 kB
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1.3 MB
energy.raw
958 Bytes
force.raw
2.7 MB
raw_to_set.sh
2.5 kB
set.000
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1.9 kB
coord.npy
536.4 kB
energy.npy
320 Bytes
force.npy
536.4 kB
toto.py
163 Bytes
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1.9 kB
type2.raw
2.8 kB
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box.raw
24.5 kB
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14.2 MB
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11.1 kB
force.raw
29.4 MB
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19.3 kB
coord.npy
5.9 MB
energy.npy
2.3 kB
force.npy
5.9 MB
type.raw
2.8 kB
validation
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box.raw
966 Bytes
coord.raw
706.6 kB
energy.raw
434 Bytes
force.raw
1.2 MB
raw_to_set.sh
2.5 kB
set.000
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884 Bytes
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234.7 kB
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212 Bytes
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234.7 kB
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2.8 kB
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7.3 kB
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7.2 MB
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4.4 kB
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12.3 MB
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2.5 kB
set.000
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8.1 kB
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2.5 MB
energy.npy
1.0 kB
force.npy
2.5 MB
toto.py
163 Bytes
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1.9 kB
3
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92 Bytes
coord.raw
53.5 kB
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42 Bytes
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110.7 kB
set.000
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200 Bytes
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22.5 kB
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136 Bytes
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22.5 kB
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2.8 kB
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874 Bytes
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508.1 kB
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395 Bytes
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1.1 MB
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812 Bytes
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212.4 kB
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204 Bytes
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212.4 kB
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23.2 MB
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14.1 kB
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39.3 MB
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2.5 kB
set.000
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25.8 kB
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8.0 MB
energy.npy
3.0 kB
force.npy
8.0 MB
toto.py
163 Bytes
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type2.raw
2.8 kB
6
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5.8 MB
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9.8 MB
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2.5 kB
set.000
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6.5 kB
coord.npy
2.0 MB
energy.npy
836 Bytes
force.npy
2.0 MB
toto.py
163 Bytes
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1.9 kB
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2.8 kB
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6.1 kB
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3.5 MB
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2.8 kB
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7.3 MB
set.000
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4.9 kB
coord.npy
1.5 MB
energy.npy
656 Bytes
force.npy
1.5 MB
type.raw
2.8 kB
TFE
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6.1 kB
training
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8.2 kB
1
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coord.raw
83.0 MB
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45.3 kB
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106.2 MB
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2.5 kB
set.000
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25.1 MB
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10.4 kB
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25.1 MB
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34.2 kB
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18.6 MB
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16.5 kB
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38.5 MB
set.000
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28.8 kB
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7.8 MB
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3.3 kB
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7.8 MB
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2.4 kB
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13.5 MB
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11.9 kB
force.raw
27.9 MB
set.000
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20.9 kB
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5.6 MB
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2.4 kB
force.npy
5.6 MB
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2.4 kB
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5.7 kB
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3.1 MB
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2.7 kB
force.raw
6.4 MB
set.000
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4.9 kB
coord.npy
1.3 MB
energy.npy
656 Bytes
force.npy
1.3 MB
type.raw
2.4 kB
13
box.raw
81.9 kB
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44.5 MB
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39.4 kB
force.raw
92.0 MB
set.000
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68.7 kB
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18.6 MB
energy.npy
7.7 kB
force.npy
18.6 MB
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2.4 kB
14
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4.0 kB
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2.2 MB
energy.raw
1.9 kB
force.raw
4.5 MB
set.000
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3.5 kB
coord.npy
918.3 kB
energy.npy
504 Bytes
force.npy
918.3 kB
type.raw
2.4 kB
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box.raw
99.2 kB
coord.raw
89.0 MB
energy.raw
44.6 kB
force.raw
103.7 MB
raw_to_set.sh
2.5 kB
set.000
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77.7 kB
coord.npy
21.1 MB
energy.npy
8.8 kB
force.npy
21.1 MB
type.raw
2.4 kB
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box.raw
145.1 kB
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84.2 MB
energy.raw
69.8 kB
force.raw
163.0 MB
raw_to_set.sh
2.5 kB
set.000
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121.6 kB
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33.0 MB
energy.npy
13.6 kB
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33.0 MB
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2.4 kB
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19.4 kB
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10.5 MB
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9.3 kB
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21.7 MB
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2.5 kB
set.000
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16.3 kB
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4.4 MB
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1.9 kB
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4.4 MB
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2.4 kB
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56.1 kB
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36.2 MB
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27.0 kB
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63.0 MB
set.000
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47.1 kB
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12.7 MB
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5.3 kB
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12.7 MB
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2.4 kB
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20.6 kB
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11.2 MB
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9.9 kB
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23.2 MB
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17.4 kB
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4.7 MB
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2.0 kB
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4.7 MB
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2.4 kB
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10.2 MB
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9.0 kB
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21.1 MB
set.000
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15.9 kB
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4.3 MB
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1.9 kB
force.npy
4.3 MB
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2.4 kB
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39.0 kB
coord.raw
21.2 MB
energy.raw
18.7 kB
force.raw
43.8 MB
set.000
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32.7 kB
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8.8 MB
energy.npy
3.8 kB
force.npy
8.8 MB
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2.4 kB
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26.8 kB
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14.6 MB
energy.raw
12.9 kB
force.raw
30.2 MB
set.000
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22.6 kB
coord.npy
6.1 MB
energy.npy
2.6 kB
force.npy
6.1 MB
type.raw
2.4 kB
validation
1
box.raw
27.5 kB
coord.raw
20.7 MB
energy.raw
11.3 kB
force.raw
26.4 MB
raw_to_set.sh
2.5 kB
set.000
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6.2 MB
energy.npy
2.7 kB
force.npy
6.2 MB
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4.6 MB
energy.raw
4.1 kB
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9.6 MB
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7.3 kB
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1.9 MB
energy.npy
924 Bytes
force.npy
1.9 MB
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2.4 kB
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6.2 kB
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3.4 MB
energy.raw
3.0 kB
force.raw
7.0 MB
set.000
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5.3 kB
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1.4 MB
energy.npy
704 Bytes
force.npy
1.4 MB
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2.4 kB
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1.4 kB
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770.7 kB
energy.raw
685 Bytes
force.raw
1.6 MB
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1.3 kB
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322.5 kB
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260 Bytes
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322.5 kB
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2.4 kB
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20.5 kB
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11.1 MB
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9.8 kB
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23.0 MB
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4.6 MB
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2.0 kB
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4.6 MB
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2.4 kB
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989 Bytes
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537.5 kB
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479 Bytes
force.raw
1.1 MB
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956 Bytes
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224.8 kB
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220 Bytes
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224.8 kB
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2.4 kB
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22.3 MB
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11.2 kB
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25.9 MB
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5.3 MB
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40.6 MB
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1.1 MB
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576 Bytes
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1.1 MB
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14.0 kB
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9.2 MB
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1.2 MB
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608 Bytes
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1.1 MB
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564 Bytes
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1.5 MB
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752 Bytes
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1.5 MB
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__MACOSX
._PBE
210 Bytes
PBE
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120 Bytes
._MeOH
210 Bytes
._TFE
210 Bytes
MeOH
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120 Bytes
._training
210 Bytes
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210 Bytes
training
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120 Bytes
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210 Bytes
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210 Bytes
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210 Bytes
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210 Bytes
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210 Bytes
6
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210 Bytes
7
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210 Bytes
TFE
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120 Bytes
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210 Bytes
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210 Bytes
training
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120 Bytes
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210 Bytes
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210 Bytes
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210 Bytes
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210 Bytes
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210 Bytes
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