File: FORCE_SETS

package info (click to toggle)
phonopy 2.47.1-2
  • links: PTS, VCS
  • area: main
  • in suites: sid
  • size: 29,380 kB
  • sloc: python: 43,690; xml: 12,080; ansic: 3,227; cpp: 525; sh: 213; makefile: 20
file content (212 lines) | stat: -rw-r--r-- 9,620 bytes parent folder | download | duplicates (4)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
32
6

1
  0.0100000000000000   0.0000000000000000   0.0000000000000000
  -0.0975528900    0.0015419900    0.0015702600
   0.0258815900   -0.0000029800    0.0005384200
   0.0016209300   -0.0140440400    0.0033772600
   0.0015715400    0.0139912300   -0.0022762800
   0.0003241900   -0.0000069900    0.0005410000
  -0.0002498400   -0.0000093700    0.0005418800
   0.0000309300    0.0001514600   -0.0000948800
   0.0000260100   -0.0001698200    0.0011770800
   0.0008852300   -0.0003347400   -0.0104874500
   0.0008829100    0.0003388000    0.0115349500
   0.0003010700   -0.0000002600    0.0005623400
  -0.0007818800    0.0000106000    0.0005302300
   0.0008634500   -0.0003321500    0.0052741300
   0.0009046800    0.0003407200   -0.0041696400
   0.0003011700   -0.0000131200    0.0005301900
  -0.0007821900    0.0000185100    0.0005484100
   0.0026574300   -0.0000063500   -0.0005520100
  -0.0027474800    0.0000003200   -0.0005423100
   0.0001277600    0.0016617800    0.0016134300
   0.0001356900   -0.0016625400   -0.0027007000
   0.0042667300    0.0000348700   -0.0007018800
  -0.0030158100   -0.0000011600   -0.0005554000
  -0.0000906600    0.0016985600   -0.0024144000
  -0.0000750600   -0.0016862800    0.0013271600
   0.0328785300   -0.0187098900   -0.0134214900
   0.0309944400    0.0173620400    0.0114251700
   0.0007059000   -0.0001718100   -0.0004588500
  -0.0003002800   -0.0000077600   -0.0005375900
   0.0001355900   -0.0003862600   -0.0001930000
   0.0001356500    0.0003954200   -0.0008993500
  -0.0005425700    0.0000002600   -0.0005379600
   0.0005072600   -0.0000010400   -0.0005487200

1
  0.0000000000000000   0.0000000000000000   0.0100000000000000
   0.0000000000    0.0000000000   -0.0979502000
   0.0000000000   -0.0032650500   -0.0086631000
   0.0028276100    0.0016325200   -0.0086631000
  -0.0028276100    0.0016325200   -0.0086631000
   0.0000000000    0.0000000000    0.0080588200
   0.0000000000    0.0007333600    0.0042303900
  -0.0006351100   -0.0003666800    0.0042303900
   0.0006351100   -0.0003666800    0.0042303900
  -0.0046847200    0.0027047300    0.0077939100
   0.0046847200    0.0027047300    0.0077939100
   0.0000000000   -0.0054094500    0.0077939100
   0.0000000000    0.0000000000    0.0021034800
   0.0110450300   -0.0063768500    0.0078385300
  -0.0110450300   -0.0063768500    0.0078385300
   0.0000000000    0.0127537000    0.0078385300
   0.0000000000    0.0000000000    0.0020929500
   0.0000000000    0.0000000000   -0.0070797100
   0.0000000000    0.0002494500   -0.0037414000
  -0.0002160300   -0.0001247200   -0.0037414000
   0.0002160300   -0.0001247200   -0.0037414000
   0.0000000000    0.0000000000    0.0496151600
   0.0000000000    0.0001891300    0.0030366200
  -0.0001637900   -0.0000945700    0.0030366200
   0.0001637900   -0.0000945700    0.0030366200
  -0.0131150400    0.0075719700    0.0101866200
   0.0131150400    0.0075719700    0.0101866200
   0.0000000000   -0.0151439500    0.0101866200
   0.0000000000    0.0000000000    0.0017723100
  -0.0009356400    0.0005401900   -0.0059401900
   0.0009356400    0.0005401900   -0.0059401900
   0.0000000000   -0.0010803900   -0.0059401900
   0.0000000000    0.0000000000   -0.0028369700

1
  0.0000000000000000   0.0000000000000000  -0.0100000000000000
   0.0000000000    0.0000000000    0.0952682300
   0.0000000000    0.0032586400    0.0096909700
  -0.0028220700   -0.0016293200    0.0096909700
   0.0028220700   -0.0016293200    0.0096909700
   0.0000000000    0.0000000000   -0.0070259900
   0.0000000000   -0.0007332900   -0.0031501600
   0.0006350500    0.0003666500   -0.0031501600
  -0.0006350500    0.0003666500   -0.0031501600
   0.0047587700   -0.0027474800   -0.0067331600
  -0.0047587700   -0.0027474800   -0.0067331600
   0.0000000000    0.0054949500   -0.0067331600
   0.0000000000    0.0000000000   -0.0010097900
  -0.0109741100    0.0063359000   -0.0066924400
   0.0109741100    0.0063359000   -0.0066924400
   0.0000000000   -0.0126718100   -0.0066924400
   0.0000000000    0.0000000000   -0.0010192400
   0.0000000000    0.0000000000    0.0059757600
   0.0000000000   -0.0002663200    0.0026199100
   0.0002306400    0.0001331600    0.0026199100
  -0.0002306400    0.0001331600    0.0026199100
   0.0000000000    0.0000000000   -0.0469220900
   0.0000000000   -0.0001944500   -0.0041030800
   0.0001684000    0.0000972300   -0.0041030800
  -0.0001684000    0.0000972300   -0.0041030800
   0.0132178200   -0.0076313100   -0.0111805200
  -0.0132178200   -0.0076313100   -0.0111805200
   0.0000000000    0.0152626300   -0.0111805200
   0.0000000000    0.0000000000   -0.0028582400
   0.0009320900   -0.0005381400    0.0048344200
  -0.0009320900   -0.0005381400    0.0048344200
   0.0000000000    0.0010762800    0.0048344200
   0.0000000000    0.0000000000    0.0017335300

17
  0.0100000000000000   0.0000000000000000   0.0000000000000000
   0.0026652300   -0.0000097400    0.0005417600
  -0.0027388300   -0.0000046000    0.0005394800
   0.0001336700    0.0016528700    0.0003157900
   0.0001449500   -0.0016706000    0.0007699800
   0.0042740800   -0.0000220200    0.0006877500
  -0.0030061300   -0.0000048100    0.0005653600
  -0.0000823700    0.0016814200    0.0003742200
  -0.0000702500   -0.0017016100    0.0007091600
   0.0328792000   -0.0187152700    0.0141761700
   0.0309593400    0.0173541300   -0.0121730600
   0.0006908300   -0.0001471000    0.0004934300
  -0.0003170300   -0.0000175700    0.0005314400
   0.0001191800   -0.0003842300    0.0014757300
   0.0001193800    0.0003999600   -0.0003934300
  -0.0005598700    0.0000080600    0.0005364800
   0.0004925400    0.0000087000    0.0005447700
  -0.1096131700    0.0016166500   -0.0016157200
   0.0238551200    0.0000159700   -0.0005472300
   0.0056930900   -0.0105046400   -0.0002498900
   0.0056604100    0.0104822600   -0.0008136900
  -0.0005782900    0.0000008700   -0.0005394700
   0.0008489200   -0.0000011900   -0.0005415200
  -0.0000645700   -0.0005326300   -0.0003367400
  -0.0000696900    0.0005253900   -0.0007446100
   0.0025822300   -0.0018670400    0.0052465300
   0.0025691800    0.0018437400   -0.0062938700
  -0.0006378400   -0.0000033200   -0.0005535300
  -0.0002313900    0.0000037400   -0.0005365800
   0.0025650100   -0.0018559400   -0.0043015400
   0.0025862900    0.0018526100    0.0032021600
  -0.0006364300   -0.0000122200   -0.0005222900
  -0.0002327900    0.0000081600   -0.0005470400

17
  0.0000000000000000   0.0000000000000000   0.0100000000000000
   0.0000000000    0.0000000000   -0.0060048800
   0.0000000000   -0.0024958700   -0.0026280200
   0.0021614800    0.0012479300   -0.0026280200
  -0.0021614800    0.0012479300   -0.0026280200
   0.0000000000    0.0000000000    0.0469172200
   0.0000000000    0.0021559400    0.0040940200
  -0.0018671000   -0.0010779700    0.0040940200
   0.0018671000   -0.0010779700    0.0040940200
   0.0124966400   -0.0072149400    0.0111686300
  -0.0124966400   -0.0072149400    0.0111686300
   0.0000000000    0.0144298700    0.0111686300
   0.0000000000    0.0000000000    0.0028782000
  -0.0003507300    0.0002024900   -0.0048341500
   0.0003507300    0.0002024900   -0.0048341500
   0.0000000000   -0.0004049900   -0.0048341500
   0.0000000000    0.0000000000   -0.0017397000
   0.0000000000    0.0000000000   -0.1086797500
   0.0000000000   -0.0003305300   -0.0049386200
   0.0002862500    0.0001652700   -0.0049386200
  -0.0002862500    0.0001652700   -0.0049386200
   0.0000000000    0.0000000000    0.0039100700
   0.0000000000   -0.0002300900    0.0039505300
   0.0001992700    0.0001150500    0.0039505300
  -0.0001992700    0.0001150500    0.0039505300
   0.0037796800   -0.0021822000    0.0072223500
  -0.0037796800   -0.0021822000    0.0072223500
   0.0000000000    0.0043643900    0.0072223500
   0.0000000000    0.0000000000   -0.0004429300
  -0.0057375800    0.0033125900    0.0071599900
   0.0057375800    0.0033125900    0.0071599900
   0.0000000000   -0.0066251900    0.0071599900
   0.0000000000    0.0000000000   -0.0004224100

17
  0.0000000000000000   0.0000000000000000  -0.0100000000000000
   0.0000000000    0.0000000000    0.0070356800
   0.0000000000    0.0024846700    0.0037146800
  -0.0021517800   -0.0012423300    0.0037146800
   0.0021517800   -0.0012423300    0.0037146800
   0.0000000000    0.0000000000   -0.0496287900
   0.0000000000   -0.0021659100   -0.0030478400
   0.0018757400    0.0010829600   -0.0030478400
  -0.0018757400    0.0010829600   -0.0030478400
  -0.0123349100    0.0071215600   -0.0102142700
   0.0123349100    0.0071215600   -0.0102142700
   0.0000000000   -0.0142431300   -0.0102142700
   0.0000000000    0.0000000000   -0.0017612900
   0.0003566300   -0.0002059000    0.0059165900
  -0.0003566300   -0.0002059000    0.0059165900
   0.0000000000    0.0004118000    0.0059165900
   0.0000000000    0.0000000000    0.0028149400
   0.0000000000    0.0000000000    0.1119919900
   0.0000000000    0.0003138700    0.0038546600
  -0.0002718200   -0.0001569300    0.0038546600
   0.0002718200   -0.0001569300    0.0038546600
   0.0000000000    0.0000000000   -0.0049731800
   0.0000000000    0.0002458500   -0.0050424700
  -0.0002129100   -0.0001229200   -0.0050424700
   0.0002129100   -0.0001229200   -0.0050424700
  -0.0037043100    0.0021386800   -0.0082612300
   0.0037043100    0.0021386800   -0.0082612300
   0.0000000000   -0.0042773700   -0.0082612300
   0.0000000000    0.0000000000   -0.0006521200
   0.0058031400   -0.0033504500   -0.0083157300
  -0.0058031400   -0.0033504500   -0.0083157300
   0.0000000000    0.0067008900   -0.0083157300
   0.0000000000    0.0000000000   -0.0006404200