PARA16: 0.3972 8.6032 3.4948 4.7131

bulk modulus=1.690768e+02GPa,Target=1.700000e+02
Lattice Constan=2.8665, Target=2.8665

>> CalcForce(para,2.82,10,1)
1, -0.15025, -0.15025, -0.15025, -0.18126, -0.18126, -0.18126
2, 0.00000, 0.00000, 0.10042, -0.00000, -0.00000, 0.10740
3, -0.01467, -0.01467, 0.00000, -0.01445, -0.01445, 0.00000
4, 0.00000, 0.00000, -0.10042, -0.00000, -0.00000, -0.10740
5, -0.15025, -0.15025, 0.15025, -0.18126, -0.18126, 0.18126
6, 0.00000, 0.10042, 0.00000, -0.00000, 0.10740, -0.00000
7, -0.01467, 0.00000, -0.01467, -0.01445, 0.00000, -0.01445
8, 0.00000, -0.01072, -0.01072, -0.00000, -0.03716, -0.03716
9, -0.01754, 0.00000, 0.00000, -0.00000, 0.00000, 0.00000
10, 0.00000, -0.01072, 0.01072, -0.00000, -0.03716, 0.03716
11, -0.01467, 0.00000, 0.01467, -0.01445, 0.00000, 0.01446
12, 0.00000, -0.10042, 0.00000, -0.00000, -0.10740, -0.00000
13, -0.15025, 0.15025, -0.15025, -0.18126, 0.18126, -0.18126
14, 0.00000, 0.01072, -0.01072, -0.00000, 0.03716, -0.03716
15, -0.01467, 0.01467, 0.00000, -0.01445, 0.01446, 0.00000
16, 0.00000, 0.01072, 0.01072, -0.00000, 0.03716, 0.03716
17, -0.15025, 0.15025, 0.15025, -0.18126, 0.18126, 0.18126
18, 0.10042, 0.00000, 0.00000, 0.10740, -0.00000, -0.00000
19, 0.00000, -0.01467, -0.01467, 0.00000, -0.01445, -0.01445
20, -0.01072, 0.00000, -0.01072, -0.03716, -0.00000, -0.03716
21, 0.00000, -0.01754, 0.00000, 0.00000, -0.00000, 0.00000
22, -0.01072, 0.00000, 0.01072, -0.03716, -0.00000, 0.03716
23, 0.00000, -0.01467, 0.01467, 0.00000, -0.01445, 0.01446
24, -0.01072, -0.01072, 0.00000, -0.03716, -0.03716, -0.00000
25, 0.00000, 0.00000, -0.01754, 0.00000, 0.00000, -0.00000
26, 0.02401, 0.02401, 0.02401, -0.01556, -0.01556, -0.01556
27, 0.00000, 0.00000, 0.00000, 0.00000, 0.00000, 0.00000
28, 0.02401, 0.02401, -0.02401, -0.01556, -0.01556, 0.01556
29, 0.00000, 0.00000, 0.01754, 0.00000, 0.00000, 0.00000
30, -0.01072, 0.01072, 0.00000, -0.03716, 0.03716, -0.00000
31, 0.00000, 0.01467, -0.01467, 0.00000, 0.01446, -0.01445
32, 0.02401, -0.02401, 0.02401, -0.01556, 0.01556, -0.01556
33, 0.00000, 0.01754, 0.00000, 0.00000, 0.00000, 0.00000
34, 0.02401, -0.02401, -0.02401, -0.01556, 0.01556, 0.01556
35, 0.00000, 0.01467, 0.01467, 0.00000, 0.01446, 0.01446
36, -0.10042, 0.00000, 0.00000, -0.10740, -0.00000, -0.00000
37, 0.15025, -0.15025, -0.15025, 0.18126, -0.18126, -0.18126
38, 0.01072, 0.00000, -0.01072, 0.03716, -0.00000, -0.03716
39, 0.01467, -0.01467, 0.00000, 0.01446, -0.01445, 0.00000
40, 0.01072, 0.00000, 0.01072, 0.03716, -0.00000, 0.03716
41, 0.15025, -0.15025, 0.15025, 0.18126, -0.18126, 0.18126
42, 0.01072, -0.01072, 0.00000, 0.03716, -0.03716, -0.00000
43, 0.01467, 0.00000, -0.01467, 0.01446, 0.00000, -0.01445
44, -0.02401, 0.02401, 0.02401, 0.01556, -0.01556, -0.01556
45, 0.01754, 0.00000, 0.00000, 0.00000, 0.00000, 0.00000
46, -0.02401, 0.02401, -0.02401, 0.01556, -0.01556, 0.01556
47, 0.01467, 0.00000, 0.01467, 0.01446, 0.00000, 0.01446
48, 0.01072, 0.01072, 0.00000, 0.03716, 0.03716, -0.00000
49, 0.15025, 0.15025, -0.15025, 0.18126, 0.18126, -0.18126
50, -0.02401, -0.02401, 0.02401, 0.01556, 0.01556, -0.01556
51, 0.01467, 0.01467, 0.00000, 0.01446, 0.01446, 0.00000
52, -0.02401, -0.02401, -0.02401, 0.01556, 0.01556, 0.01556
53, 0.15025, 0.15025, 0.15025, 0.18126, 0.18126, 0.18126
>> CalcForce(para,2.84,11,1)
1, -0.13232, -0.13232, -0.13232, -0.14331, -0.14331, -0.14331
2, 0.00000, 0.00000, 0.10109, 0.00000, 0.00000, 0.12209
3, -0.00586, -0.00586, 0.00000, -0.01417, -0.01417, -0.00000
4, 0.00000, 0.00000, -0.10109, 0.00000, 0.00000, -0.12209
5, -0.13232, -0.13232, 0.13232, -0.14331, -0.14331, 0.14331
6, 0.00000, 0.10109, 0.00000, 0.00000, 0.12209, 0.00000
7, -0.00586, 0.00000, -0.00586, -0.01417, -0.00000, -0.01417
8, 0.00000, -0.01627, -0.01627, 0.00000, -0.03656, -0.03656
9, -0.00210, 0.00000, 0.00000, -0.00000, -0.00000, -0.00000
10, 0.00000, -0.01627, 0.01627, 0.00000, -0.03656, 0.03656
11, -0.00586, 0.00000, 0.00586, -0.01417, -0.00000, 0.01417
12, 0.00000, -0.10109, 0.00000, 0.00000, -0.12209, 0.00000
13, -0.13232, 0.13232, -0.13232, -0.14331, 0.14331, -0.14331
14, 0.00000, 0.01627, -0.01627, 0.00000, 0.03656, -0.03656
15, -0.00586, 0.00586, 0.00000, -0.01417, 0.01417, -0.00000
16, 0.00000, 0.01627, 0.01627, 0.00000, 0.03656, 0.03656
17, -0.13232, 0.13232, 0.13232, -0.14331, 0.14331, 0.14331
18, 0.10109, 0.00000, 0.00000, 0.12209, 0.00000, 0.00000
19, 0.00000, -0.00586, -0.00586, -0.00000, -0.01417, -0.01417
20, -0.01627, 0.00000, -0.01627, -0.03656, 0.00000, -0.03656
21, 0.00000, -0.00210, 0.00000, -0.00000, -0.00000, -0.00000
22, -0.01627, 0.00000, 0.01627, -0.03656, 0.00000, 0.03656
23, 0.00000, -0.00586, 0.00586, -0.00000, -0.01417, 0.01417
24, -0.01627, -0.01627, 0.00000, -0.03656, -0.03656, 0.00000
25, 0.00000, 0.00000, -0.00210, -0.00000, -0.00000, -0.00000
26, 0.02959, 0.02959, 0.02959, -0.01533, -0.01533, -0.01533
27, 0.00000, 0.00000, 0.00000, -0.00000, -0.00000, -0.00000
28, 0.02959, 0.02959, -0.02959, -0.01533, -0.01533, 0.01533
29, 0.00000, 0.00000, 0.00210, -0.00000, -0.00000, 0.00000
30, -0.01627, 0.01627, 0.00000, -0.03656, 0.03656, 0.00000
31, 0.00000, 0.00586, -0.00586, -0.00000, 0.01417, -0.01417
32, 0.02959, -0.02959, 0.02959, -0.01533, 0.01533, -0.01533
33, 0.00000, 0.00210, 0.00000, -0.00000, 0.00000, -0.00000
34, 0.02959, -0.02959, -0.02959, -0.01533, 0.01533, 0.01533
35, 0.00000, 0.00586, 0.00586, -0.00000, 0.01417, 0.01417
36, -0.10109, 0.00000, 0.00000, -0.12209, 0.00000, 0.00000
37, 0.13232, -0.13232, -0.13232, 0.14331, -0.14331, -0.14331
38, 0.01627, 0.00000, -0.01627, 0.03656, 0.00000, -0.03656
39, 0.00586, -0.00586, 0.00000, 0.01417, -0.01417, -0.00000
40, 0.01627, 0.00000, 0.01627, 0.03656, 0.00000, 0.03656
41, 0.13232, -0.13232, 0.13232, 0.14331, -0.14331, 0.14331
42, 0.01627, -0.01627, 0.00000, 0.03656, -0.03656, 0.00000
43, 0.00586, 0.00000, -0.00586, 0.01417, -0.00000, -0.01417
44, -0.02959, 0.02959, 0.02959, 0.01533, -0.01533, -0.01533
45, 0.00210, 0.00000, 0.00000, 0.00000, -0.00000, -0.00000
46, -0.02959, 0.02959, -0.02959, 0.01533, -0.01533, 0.01533
47, 0.00586, 0.00000, 0.00586, 0.01417, -0.00000, 0.01417
48, 0.01627, 0.01627, 0.00000, 0.03656, 0.03656, 0.00000
49, 0.13232, 0.13232, -0.13232, 0.14331, 0.14331, -0.14331
50, -0.02959, -0.02959, 0.02959, 0.01533, 0.01533, -0.01533
51, 0.00586, 0.00586, 0.00000, 0.01417, 0.01417, -0.00000
52, -0.02959, -0.02959, -0.02959, 0.01533, 0.01533, 0.01533
53, 0.13232, 0.13232, 0.13232, 0.14331, 0.14331, 0.14331

>> CalcForce(para,2.8553,12,1)
1, -0.12101, -0.12101, -0.12101, -0.11610, -0.11610, -0.11610
2, 0.00000, 0.00000, 0.12340, -0.00001, -0.00001, 0.13232
3, -0.01059, -0.01059, 0.00000, -0.01396, -0.01396, 0.00000
4, 0.00000, 0.00000, -0.12340, -0.00001, -0.00001, -0.13231
5, -0.12101, -0.12101, 0.12101, -0.11610, -0.11610, 0.11611
6, 0.00000, 0.12340, 0.00000, -0.00001, 0.13232, -0.00001
7, -0.01059, 0.00000, -0.01059, -0.01396, 0.00000, -0.01396
8, 0.00000, -0.01398, -0.01398, -0.00001, -0.03611, -0.03611
9, -0.00361, 0.00000, 0.00000, -0.00000, 0.00000, 0.00000
10, 0.00000, -0.01398, 0.01398, -0.00001, -0.03611, 0.03611
11, -0.01059, 0.00000, 0.01059, -0.01396, 0.00000, 0.01396
12, 0.00000, -0.12340, 0.00000, -0.00001, -0.13231, -0.00001
13, -0.12101, 0.12101, -0.12101, -0.11610, 0.11611, -0.11610
14, 0.00000, 0.01398, -0.01398, -0.00001, 0.03611, -0.03611
15, -0.01059, 0.01059, 0.00000, -0.01396, 0.01396, 0.00000
16, 0.00000, 0.01398, 0.01398, -0.00001, 0.03611, 0.03611
17, -0.12101, 0.12101, 0.12101, -0.11610, 0.11611, 0.11611
18, 0.12340, 0.00000, 0.00000, 0.13232, -0.00001, -0.00001
19, 0.00000, -0.01059, -0.01059, 0.00000, -0.01396, -0.01396
20, -0.01398, 0.00000, -0.01398, -0.03611, -0.00001, -0.03611
21, 0.00000, -0.00361, 0.00000, 0.00000, -0.00000, 0.00000
22, -0.01398, 0.00000, 0.01398, -0.03611, -0.00001, 0.03611
23, 0.00000, -0.01059, 0.01059, 0.00000, -0.01396, 0.01396
24, -0.01398, -0.01398, 0.00000, -0.03611, -0.03611, -0.00001
25, 0.00000, 0.00000, -0.00361, 0.00000, 0.00000, -0.00000
26, 0.02708, 0.02708, 0.02708, -0.01516, -0.01516, -0.01516
27, 0.00000, 0.00000, 0.00000, 0.00000, 0.00000, 0.00000
28, 0.02708, 0.02708, -0.02708, -0.01516, -0.01516, 0.01517
29, 0.00000, 0.00000, 0.00361, 0.00000, 0.00000, 0.00001
30, -0.01398, 0.01398, 0.00000, -0.03611, 0.03611, -0.00001
31, 0.00000, 0.01059, -0.01059, 0.00000, 0.01396, -0.01396
32, 0.02708, -0.02708, 0.02708, -0.01516, 0.01517, -0.01516
33, 0.00000, 0.00361, 0.00000, 0.00000, 0.00001, 0.00000
34, 0.02708, -0.02708, -0.02708, -0.01516, 0.01517, 0.01517
35, 0.00000, 0.01059, 0.01059, 0.00000, 0.01396, 0.01396
36, -0.12340, 0.00000, 0.00000, -0.13231, -0.00001, -0.00001
37, 0.12101, -0.12101, -0.12101, 0.11611, -0.11610, -0.11610
38, 0.01398, 0.00000, -0.01398, 0.03611, -0.00001, -0.03611
39, 0.01059, -0.01059, 0.00000, 0.01396, -0.01396, 0.00000
40, 0.01398, 0.00000, 0.01398, 0.03611, -0.00001, 0.03611
41, 0.12101, -0.12101, 0.12101, 0.11611, -0.11610, 0.11611
42, 0.01398, -0.01398, 0.00000, 0.03611, -0.03611, -0.00001
43, 0.01059, 0.00000, -0.01059, 0.01396, 0.00000, -0.01396
44, -0.02708, 0.02708, 0.02708, 0.01517, -0.01516, -0.01516
45, 0.00361, 0.00000, 0.00000, 0.00001, 0.00000, 0.00000
46, -0.02708, 0.02708, -0.02708, 0.01517, -0.01516, 0.01517
47, 0.01059, 0.00000, 0.01059, 0.01396, 0.00000, 0.01396
48, 0.01398, 0.01398, 0.00000, 0.03611, 0.03611, -0.00001
49, 0.12101, 0.12101, -0.12101, 0.11611, 0.11611, -0.11610
50, -0.02708, -0.02708, 0.02708, 0.01517, 0.01517, -0.01516
51, 0.01059, 0.01059, 0.00000, 0.01396, 0.01396, 0.00000
52, -0.02708, -0.02708, -0.02708, 0.01517, 0.01517, 0.01517
53, 0.12101, 0.12101, 0.12101, 0.11611, 0.11611, 0.11611
>> CalcForce(para,2.8665,13,1)
1, -0.11336, -0.11336, -0.11336, -0.09713, -0.09713, -0.09713
2, 0.00000, 0.00000, 0.12556, -0.00000, -0.00000, 0.13928
3, -0.00937, -0.00937, 0.00000, -0.01380, -0.01380, 0.00000
4, 0.00000, 0.00000, -0.12556, -0.00000, -0.00000, -0.13928
5, -0.11336, -0.11336, 0.11336, -0.09713, -0.09713, 0.09713
6, 0.00000, 0.12556, 0.00000, -0.00000, 0.13928, -0.00000
7, -0.00937, 0.00000, -0.00937, -0.01380, 0.00000, -0.01380
8, 0.00000, -0.01110, -0.01110, -0.00000, -0.03578, -0.03578
9, -0.01130, 0.00000, 0.00000, -0.00000, 0.00000, 0.00000
10, 0.00000, -0.01110, 0.01110, -0.00000, -0.03578, 0.03578
11, -0.00937, 0.00000, 0.00937, -0.01380, 0.00000, 0.01380
12, 0.00000, -0.12556, 0.00000, -0.00000, -0.13928, -0.00000
13, -0.11336, 0.11336, -0.11336, -0.09713, 0.09713, -0.09713
14, 0.00000, 0.01110, -0.01110, -0.00000, 0.03578, -0.03578
15, -0.00937, 0.00937, 0.00000, -0.01380, 0.01380, 0.00000
16, 0.00000, 0.01110, 0.01110, -0.00000, 0.03578, 0.03578
17, -0.11336, 0.11336, 0.11336, -0.09713, 0.09713, 0.09713
18, 0.12556, 0.00000, 0.00000, 0.13928, -0.00000, -0.00000
19, 0.00000, -0.00937, -0.00937, 0.00000, -0.01380, -0.01380
20, -0.01110, 0.00000, -0.01110, -0.03578, -0.00000, -0.03578
21, 0.00000, -0.01130, 0.00000, 0.00000, -0.00000, 0.00000
22, -0.01110, 0.00000, 0.01110, -0.03578, -0.00000, 0.03578
23, 0.00000, -0.00937, 0.00937, 0.00000, -0.01380, 0.01380
24, -0.01110, -0.01110, 0.00000, -0.03578, -0.03578, -0.00000
25, 0.00000, 0.00000, -0.01130, 0.00000, 0.00000, -0.00000
26, 0.01773, 0.01773, 0.01773, -0.01504, -0.01504, -0.01504
27, 0.00000, 0.00000, 0.00000, 0.00000, 0.00000, 0.00000
28, 0.01773, 0.01773, -0.01773, -0.01504, -0.01504, 0.01504
29, 0.00000, 0.00000, 0.01130, 0.00000, 0.00000, 0.00000
30, -0.01110, 0.01110, 0.00000, -0.03578, 0.03578, -0.00000
31, 0.00000, 0.00937, -0.00937, 0.00000, 0.01380, -0.01380
32, 0.01773, -0.01773, 0.01773, -0.01504, 0.01504, -0.01504
33, 0.00000, 0.01130, 0.00000, 0.00000, 0.00000, 0.00000
34, 0.01773, -0.01773, -0.01773, -0.01504, 0.01504, 0.01504
35, 0.00000, 0.00937, 0.00937, 0.00000, 0.01380, 0.01380
36, -0.12556, 0.00000, 0.00000, -0.13928, -0.00000, -0.00000
37, 0.11336, -0.11336, -0.11336, 0.09713, -0.09713, -0.09713
38, 0.01110, 0.00000, -0.01110, 0.03578, -0.00000, -0.03578
39, 0.00937, -0.00937, 0.00000, 0.01380, -0.01380, 0.00000
40, 0.01110, 0.00000, 0.01110, 0.03578, -0.00000, 0.03578
41, 0.11336, -0.11336, 0.11336, 0.09713, -0.09713, 0.09713
42, 0.01110, -0.01110, 0.00000, 0.03578, -0.03578, -0.00000
43, 0.00937, 0.00000, -0.00937, 0.01380, 0.00000, -0.01380
44, -0.01773, 0.01773, 0.01773, 0.01504, -0.01504, -0.01504
45, 0.01130, 0.00000, 0.00000, 0.00000, 0.00000, 0.00000
46, -0.01773, 0.01773, -0.01773, 0.01504, -0.01504, 0.01504
47, 0.00937, 0.00000, 0.00937, 0.01380, 0.00000, 0.01380
48, 0.01110, 0.01110, 0.00000, 0.03578, 0.03578, -0.00000
49, 0.11336, 0.11336, -0.11336, 0.09713, 0.09713, -0.09713
50, -0.01773, -0.01773, 0.01773, 0.01504, 0.01504, -0.01504
51, 0.00937, 0.00937, 0.00000, 0.01380, 0.01380, 0.00000
52, -0.01773, -0.01773, -0.01773, 0.01504, 0.01504, 0.01504
53, 0.11336, 0.11336, 0.11336, 0.09713, 0.09713, 0.09713