10
1
mirror of https://gitlab.com/scemama/QCaml.git synced 2024-12-23 04:43:32 +01:00
QCaml/test/water_kin.ref

153 lines
4.6 KiB
Plaintext
Raw Normal View History

2020-10-03 15:27:48 +02:00
1 1 2.921577233608e+01
1 2 -8.119801866963e+00
2 2 2.682631425310e+00
1 3 1.678795169747e-01
2 3 2.397955546354e-01
3 3 4.534500000000e-01
4 4 2.037148464379e+00
5 5 2.037148464379e+00
6 6 2.037148464379e+00
4 7 3.830827872764e-01
7 7 6.882500000000e-01
5 8 3.830827872764e-01
8 8 6.882500000000e-01
6 9 3.830827872764e-01
9 9 6.882500000000e-01
1 10 -7.454414939129e-01
2 10 5.142431587554e-01
3 10 3.983585189562e-01
10 10 2.567500000000e+00
11 11 4.147500000000e+00
12 12 4.147500000000e+00
1 13 -7.454414939129e-01
2 13 5.142431587554e-01
3 13 3.983585189562e-01
10 13 -1.975000000000e-01
13 13 2.567500000000e+00
14 14 4.147500000000e+00
1 15 -7.454414939129e-01
2 15 5.142431587554e-01
3 15 3.983585189562e-01
10 15 -1.975000000000e-01
13 15 -1.975000000000e-01
15 15 2.567500000000e+00
1 16 -1.625245710154e-03
2 16 1.883414871004e-02
3 16 9.609863471787e-02
4 16 -7.043955417211e-02
6 16 -5.452046836450e-02
7 16 -1.987883398142e-01
9 16 -1.538628902391e-01
10 16 1.176562813393e-01
12 16 1.777802503510e-01
13 16 -1.495482754154e-02
15 16 6.449004371052e-02
16 16 3.347671997727e-01
1 17 1.846585301041e-02
2 17 4.084053838595e-02
3 17 1.369515771765e-01
4 17 -2.715030181110e-02
6 17 -2.101443128618e-02
7 17 -1.164399853683e-01
9 17 -9.012496761581e-02
10 17 8.455611116740e-02
12 17 1.403241892240e-02
13 17 7.408894943315e-02
15 17 8.035963311395e-02
16 17 1.182520739417e-01
17 17 1.830000000000e-01
1 18 3.951372266567e-02
2 18 1.695591769735e-01
3 18 2.382528843220e-01
4 18 -3.239997736207e-01
6 18 -3.449160943226e-01
7 18 -7.502046695243e-02
9 18 -2.816860634455e-01
10 18 2.881592031694e-01
12 18 6.240799325682e-01
13 18 8.803539819411e-02
15 18 5.259115937610e-01
18 18 1.817500000000e+00
5 19 1.216261837434e-01
8 19 2.889133238019e-01
11 19 -4.596764763563e-01
14 19 -3.557912465751e-01
19 19 1.817500000000e+00
1 20 3.058376351011e-02
2 20 1.312394130364e-01
3 20 1.844085896781e-01
4 20 -3.449160943226e-01
6 20 -1.453401142399e-01
7 20 -2.816860634455e-01
9 20 7.088729721359e-02
10 20 6.338686039953e-01
12 20 2.987473417905e-01
13 20 6.813971494582e-02
15 20 -3.774878216471e-03
20 20 1.817500000000e+00
1 21 -1.625245710154e-03
2 21 1.883414871004e-02
3 21 9.609863471787e-02
4 21 7.043955417211e-02
6 21 -5.452046836450e-02
7 21 1.987883398142e-01
9 21 -1.538628902391e-01
10 21 1.176562813393e-01
12 21 -1.777802503510e-01
13 21 -1.495482754154e-02
15 21 6.449004371052e-02
16 21 -1.048847055322e-02
17 21 2.463983558179e-02
18 21 9.415566467729e-04
21 21 3.347671997727e-01
1 22 1.846585301041e-02
2 22 4.084053838595e-02
3 22 1.369515771765e-01
4 22 2.715030181110e-02
6 22 -2.101443128618e-02
7 22 1.164399853683e-01
9 22 -9.012496761581e-02
10 22 8.455611116740e-02
12 22 -1.403241892240e-02
13 22 7.408894943315e-02
15 22 8.035963311395e-02
16 22 2.463983558179e-02
17 22 7.410708495360e-02
18 22 6.021333451474e-02
21 22 1.182520739417e-01
22 22 1.830000000000e-01
1 23 -3.951372266567e-02
2 23 -1.695591769735e-01
3 23 -2.382528843220e-01
4 23 -3.239997736207e-01
6 23 3.449160943226e-01
7 23 -7.502046695243e-02
9 23 2.816860634455e-01
10 23 -2.881592031694e-01
12 23 6.240799325682e-01
13 23 -8.803539819411e-02
15 23 -5.259115937610e-01
16 23 -9.415566467729e-04
17 23 -6.021333451474e-02
18 23 -1.335361388732e-01
23 23 1.817500000000e+00
5 24 1.216261837434e-01
8 24 2.889133238019e-01
11 24 4.596764763563e-01
14 24 -3.557912465751e-01
19 24 -1.762927240490e-02
24 24 1.817500000000e+00
1 25 3.058376351011e-02
2 25 1.312394130364e-01
3 25 1.844085896781e-01
4 25 3.449160943226e-01
6 25 -1.453401142399e-01
7 25 2.816860634455e-01
9 25 7.088729721359e-02
10 25 6.338686039953e-01
12 25 -2.987473417905e-01
13 25 6.813971494582e-02
15 25 -3.774878216471e-03
20 25 -1.762927240490e-02
25 25 1.817500000000e+00