12 12 1 0
0.2982869E+02 0.7921859E-09 0.4684117E-09 0.9646297E-09 0.5000000E-15
1.000000000000000E-004
CAR
(PbBr2)4 (Pnma) ~ PbBr2.cif (VASP)
12.58843507 -15.49521404 301 2.34527571 1.00000000
-15.495 0.0000E+00 0.0000E+00
-15.402 0.0000E+00 0.0000E+00
-15.308 0.0000E+00 0.0000E+00
-15.214 0.0000E+00 0.0000E+00
-15.121 -0.1730E-26 -0.1620E-27
-15.027 -0.2812E-23 -0.2634E-24
-14.934 -0.2918E-20 -0.2734E-21
-14.840 -0.1953E-17 -0.1831E-18
-14.746 -0.8430E-15 -0.7910E-16
-14.653 -0.2287E-12 -0.2149E-13
-14.559 -0.4082E-10 -0.3843E-11
-14.465 -0.4709E-08 -0.4446E-09
-14.372 -0.3500E-06 -0.3321E-07
-14.278 -0.1673E-04 -0.1600E-05
-14.185 -0.5132E-03 -0.4964E-04
-14.091 -0.1003E-01 -0.9883E-03
-13.997 -0.1232E+00 -0.1253E-01
-13.904 -0.9267E+00 -0.9928E-01
-13.810 -0.3979E+01 -0.4718E+00
-13.717 -0.7547E+01 -0.1178E+01
-13.623 0.7321E+01 -0.4929E+00
-13.529 0.6796E+02 0.5869E+01
-13.436 0.1441E+03 0.1936E+02
-13.342 0.1487E+03 0.3328E+02
-13.249 0.7515E+02 0.4031E+02
-13.155 0.1002E+02 0.4125E+02
-13.061 -0.7798E+01 0.4052E+02
-12.968 -0.4391E+01 0.4011E+02
-12.874 -0.1036E+01 0.4001E+02
-12.780 -0.1362E+00 0.4000E+02
-12.687 -0.1076E-01 0.4000E+02
-12.593 -0.5264E-03 0.4000E+02
-12.500 -0.2620E-04 0.4000E+02
-12.406 -0.1706E-03 0.4000E+02
-12.312 -0.1777E-02 0.4000E+02
-12.219 -0.1113E-01 0.4000E+02
-12.125 -0.3946E-01 0.4000E+02
-12.032 -0.6481E-01 0.3999E+02
-11.938 0.2685E-01 0.3999E+02
-11.844 0.3710E+00 0.4003E+02
-11.751 0.1036E+01 0.4012E+02
-11.657 0.2200E+01 0.4033E+02
-11.564 0.4222E+01 0.4072E+02
-11.470 0.7256E+01 0.4140E+02
-11.376 0.1068E+02 0.4240E+02
-11.283 0.1307E+02 0.4363E+02
-11.189 0.1359E+02 0.4490E+02
-11.095 0.1458E+02 0.4626E+02
-11.002 0.2007E+02 0.4814E+02
-10.908 0.2768E+02 0.5073E+02
-10.815 0.2858E+02 0.5341E+02
-10.721 0.1975E+02 0.5526E+02
-10.627 0.8223E+01 0.5603E+02
-10.534 0.1197E+01 0.5614E+02
-10.440 -0.7498E+00 0.5607E+02
-10.347 -0.5441E+00 0.5602E+02
-10.253 -0.1714E+00 0.5600E+02
-10.159 -0.3166E-01 0.5600E+02
-10.066 -0.3637E-02 0.5600E+02
-9.972 -0.2648E-03 0.5600E+02
-9.878 -0.1230E-04 0.5600E+02
-9.785 -0.3658E-06 0.5600E+02
-9.691 -0.6980E-08 0.5600E+02
-9.598 -0.8559E-10 0.5600E+02
-9.504 -0.6752E-12 0.5600E+02
-9.410 -0.3558E-14 0.5600E+02
-9.317 0.0000E+00 0.5600E+02
-9.223 0.0000E+00 0.5600E+02
-9.130 0.0000E+00 0.5600E+02
-9.036 0.0000E+00 0.5600E+02
-8.942 0.0000E+00 0.5600E+02
-8.849 0.0000E+00 0.5600E+02
-8.755 0.0000E+00 0.5600E+02
-8.662 0.0000E+00 0.5600E+02
-8.568 0.0000E+00 0.5600E+02
-8.474 0.0000E+00 0.5600E+02
-8.381 0.0000E+00 0.5600E+02
-8.287 0.0000E+00 0.5600E+02
-8.193 0.0000E+00 0.5600E+02
-8.100 0.0000E+00 0.5600E+02
-8.006 0.0000E+00 0.5600E+02
-7.913 0.0000E+00 0.5600E+02
-7.819 0.0000E+00 0.5600E+02
-7.725 0.0000E+00 0.5600E+02
-7.632 0.0000E+00 0.5600E+02
-7.538 0.0000E+00 0.5600E+02
-7.445 0.0000E+00 0.5600E+02
-7.351 0.0000E+00 0.5600E+02
-7.257 0.0000E+00 0.5600E+02
-7.164 0.0000E+00 0.5600E+02
-7.070 0.0000E+00 0.5600E+02
-6.977 0.0000E+00 0.5600E+02
-6.883 0.0000E+00 0.5600E+02
-6.789 0.0000E+00 0.5600E+02
-6.696 0.0000E+00 0.5600E+02
-6.602 -0.2884E-27 0.5600E+02
-6.508 -0.4320E-24 0.5600E+02
-6.415 -0.4168E-21 0.5600E+02
-6.321 -0.2588E-18 0.5600E+02
-6.228 -0.1034E-15 0.5600E+02
-6.134 -0.2590E-13 0.5600E+02
-6.040 -0.4247E-11 0.5600E+02
-5.947 -0.4488E-09 0.5600E+02
-5.853 -0.3044E-07 0.5600E+02
-5.760 -0.1323E-05 0.5600E+02
-5.666 -0.3679E-04 0.5600E+02
-5.572 -0.6514E-03 0.5600E+02
-5.479 -0.7285E-02 0.5600E+02
-5.385 -0.5043E-01 0.5599E+02
-5.291 -0.2049E+00 0.5598E+02
-5.198 -0.4003E+00 0.5594E+02
-5.104 0.1662E+00 0.5595E+02
-5.011 0.2863E+01 0.5622E+02
-4.917 0.7422E+01 0.5692E+02
-4.823 0.1125E+02 0.5797E+02
-4.730 0.1269E+02 0.5916E+02
-4.636 0.1216E+02 0.6030E+02
-4.543 0.1076E+02 0.6130E+02
-4.449 0.9116E+01 0.6216E+02
-4.355 0.6706E+01 0.6278E+02
-4.262 0.4085E+01 0.6317E+02
-4.168 0.2608E+01 0.6341E+02
-4.075 0.2064E+01 0.6360E+02
-3.981 0.1558E+01 0.6375E+02
-3.887 0.8215E+00 0.6383E+02
-3.794 0.3473E+00 0.6386E+02
-3.700 0.4554E+00 0.6390E+02
-3.606 0.6182E+00 0.6396E+02
-3.513 0.4027E+00 0.6400E+02
-3.419 0.8898E-01 0.6401E+02
-3.326 -0.3125E-01 0.6400E+02
-3.232 -0.2443E-01 0.6400E+02
-3.138 -0.6561E-02 0.6400E+02
-3.045 -0.9464E-03 0.6400E+02
-2.951 -0.8065E-04 0.6400E+02
-2.858 -0.4212E-05 0.6400E+02
-2.764 -0.1373E-06 0.6400E+02
-2.670 -0.2822E-08 0.6400E+02
-2.577 -0.3680E-10 0.6400E+02
-2.483 -0.3056E-12 0.6400E+02
-2.390 -0.1585E-14 0.6400E+02
-2.296 -0.1155E-14 0.6400E+02
-2.202 -0.2308E-12 0.6400E+02
-2.109 -0.3033E-10 0.6400E+02
-2.015 -0.2542E-08 0.6400E+02
-1.921 -0.1355E-06 0.6400E+02
-1.828 -0.4576E-05 0.6400E+02
-1.734 -0.9734E-04 0.6400E+02
-1.641 -0.1294E-02 0.6400E+02
-1.547 -0.1064E-01 0.6400E+02
-1.453 -0.5313E-01 0.6399E+02
-1.360 -0.1547E+00 0.6398E+02
-1.266 -0.2156E+00 0.6396E+02
-1.173 0.1908E+00 0.6398E+02
-1.079 0.1945E+01 0.6416E+02
-0.985 0.5849E+01 0.6471E+02
-0.892 0.1083E+02 0.6572E+02
-0.798 0.1410E+02 0.6704E+02
-0.704 0.1488E+02 0.6843E+02
-0.611 0.1442E+02 0.6978E+02
-0.517 0.1263E+02 0.7097E+02
-0.424 0.9740E+01 0.7188E+02
-0.330 0.8660E+01 0.7269E+02
-0.236 0.1120E+02 0.7374E+02
-0.143 0.1418E+02 0.7506E+02
-0.049 0.1367E+02 0.7634E+02
0.044 0.1100E+02 0.7737E+02
0.138 0.8585E+01 0.7818E+02
0.232 0.6276E+01 0.7876E+02
0.325 0.5530E+01 0.7928E+02
0.419 0.8465E+01 0.8007E+02
0.512 0.1285E+02 0.8128E+02
0.606 0.1548E+02 0.8273E+02
0.700 0.1601E+02 0.8422E+02
0.793 0.1499E+02 0.8563E+02
0.887 0.1360E+02 0.8690E+02
0.981 0.1391E+02 0.8820E+02
1.074 0.1611E+02 0.8971E+02
1.168 0.1778E+02 0.9138E+02
1.261 0.1756E+02 0.9302E+02
1.355 0.1693E+02 0.9460E+02
1.449 0.1680E+02 0.9618E+02
1.542 0.1827E+02 0.9789E+02
1.636 0.2265E+02 0.1000E+03
1.729 0.2594E+02 0.1024E+03
1.823 0.2314E+02 0.1046E+03
1.917 0.1779E+02 0.1063E+03
2.010 0.1648E+02 0.1078E+03
2.104 0.1775E+02 0.1095E+03
2.197 0.1551E+02 0.1109E+03
2.291 0.9160E+01 0.1118E+03
2.385 0.3067E+01 0.1121E+03
2.478 0.5921E-01 0.1121E+03
2.572 -0.4780E+00 0.1120E+03
2.666 -0.2396E+00 0.1120E+03
2.759 -0.6107E-01 0.1120E+03
2.853 -0.9344E-02 0.1120E+03
2.946 -0.8970E-03 0.1120E+03
3.040 -0.5486E-04 0.1120E+03
3.134 -0.2150E-05 0.1120E+03
3.227 -0.5410E-07 0.1120E+03
3.321 -0.8745E-09 0.1120E+03
3.414 -0.9078E-11 0.1120E+03
3.508 -0.6246E-13 0.1120E+03
3.602 0.0000E+00 0.1120E+03
3.695 0.0000E+00 0.1120E+03
3.789 -0.5785E-28 0.1120E+03
3.883 -0.9527E-25 0.1120E+03
3.976 -0.1011E-21 0.1120E+03
4.070 -0.6899E-19 0.1120E+03
4.163 -0.3030E-16 0.1120E+03
4.257 -0.8359E-14 0.1120E+03
4.351 -0.1500E-11 0.1120E+03
4.444 -0.1734E-09 0.1120E+03
4.538 -0.1281E-07 0.1120E+03
4.631 -0.6023E-06 0.1120E+03
4.725 -0.1793E-04 0.1120E+03
4.819 -0.3347E-03 0.1120E+03
4.912 -0.3854E-02 0.1120E+03
5.006 -0.2654E-01 0.1120E+03
5.099 -0.1017E+00 0.1120E+03
5.193 -0.1666E+00 0.1120E+03
5.287 0.1512E+00 0.1120E+03
5.380 0.1228E+01 0.1121E+03
5.474 0.2995E+01 0.1124E+03
5.568 0.5606E+01 0.1129E+03
5.661 0.8216E+01 0.1137E+03
5.755 0.7825E+01 0.1144E+03
5.848 0.4913E+01 0.1149E+03
5.942 0.4453E+01 0.1153E+03
6.036 0.7656E+01 0.1160E+03
6.129 0.1073E+02 0.1170E+03
6.223 0.1118E+02 0.1181E+03
6.316 0.1006E+02 0.1190E+03
6.410 0.9757E+01 0.1199E+03
6.504 0.1126E+02 0.1210E+03
6.597 0.1302E+02 0.1222E+03
6.691 0.1378E+02 0.1235E+03
6.784 0.1478E+02 0.1249E+03
6.878 0.1565E+02 0.1263E+03
6.972 0.1447E+02 0.1277E+03
7.065 0.1287E+02 0.1289E+03
7.159 0.1296E+02 0.1301E+03
7.253 0.1353E+02 0.1314E+03
7.346 0.1294E+02 0.1326E+03
7.440 0.1039E+02 0.1335E+03
7.533 0.7300E+01 0.1342E+03
7.627 0.5999E+01 0.1348E+03
7.721 0.5357E+01 0.1353E+03
7.814 0.3574E+01 0.1356E+03
7.908 0.1842E+01 0.1358E+03
8.001 0.1221E+01 0.1359E+03
8.095 0.8342E+00 0.1360E+03
8.189 0.2675E+00 0.1360E+03
8.282 -0.4507E-01 0.1360E+03
8.376 -0.6327E-01 0.1360E+03
8.469 -0.2108E-01 0.1360E+03
8.563 -0.4610E-02 0.1360E+03
8.657 -0.7354E-02 0.1360E+03
8.750 -0.2533E-01 0.1360E+03
8.844 -0.2969E-01 0.1360E+03
8.938 0.1011E+00 0.1360E+03
9.031 0.4343E+00 0.1360E+03
9.125 0.6801E+00 0.1361E+03
9.218 0.5123E+00 0.1362E+03
9.312 0.1254E+00 0.1362E+03
9.406 -0.1398E+00 0.1362E+03
9.499 -0.9256E-01 0.1361E+03
9.593 0.6733E+00 0.1362E+03
9.686 0.2072E+01 0.1364E+03
9.780 0.2604E+01 0.1366E+03
9.874 0.1456E+01 0.1368E+03
9.967 0.4543E+00 0.1368E+03
10.061 0.1666E+01 0.1370E+03
10.155 0.4288E+01 0.1374E+03
10.248 0.5508E+01 0.1379E+03
10.342 0.4614E+01 0.1383E+03
10.435 0.3870E+01 0.1387E+03
10.529 0.4769E+01 0.1391E+03
10.623 0.5333E+01 0.1396E+03
10.716 0.3467E+01 0.1400E+03
10.810 0.8959E+00 0.1400E+03
10.903 -0.2112E+00 0.1400E+03
10.997 -0.2134E+00 0.1400E+03
11.091 -0.6367E-01 0.1400E+03
11.184 -0.1006E-01 0.1400E+03
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11.746 -0.5795E-11 0.1400E+03
11.840 -0.3479E-13 0.1400E+03
11.933 0.0000E+00 0.1400E+03
12.027 0.0000E+00 0.1400E+03
12.120 0.0000E+00 0.1400E+03
12.214 0.0000E+00 0.1400E+03
12.308 0.0000E+00 0.1400E+03
12.401 0.0000E+00 0.1400E+03
12.495 0.0000E+00 0.1400E+03
12.588 0.0000E+00 0.1400E+03
12.58843507 -15.49521404 301 2.34527571 1.00000000
-15.495 0.0000E+00 0.0000E+00 0.0000E+00
-15.402 0.0000E+00 0.0000E+00 0.0000E+00
-15.308 0.0000E+00 0.0000E+00 0.0000E+00
-15.214 0.0000E+00 0.0000E+00 0.0000E+00
-15.121 -0.1406E-31 -0.1285E-31 -0.4063E-27
-15.027 -0.2231E-28 -0.2085E-28 -0.6608E-24
-14.934 -0.2276E-25 -0.2178E-25 -0.6858E-21
-14.840 -0.1494E-22 -0.1465E-22 -0.4591E-18
-14.746 -0.6314E-20 -0.6349E-20 -0.1983E-15
-14.653 -0.1666E-17 -0.1726E-17 -0.5386E-13
-14.559 -0.2896E-15 -0.3067E-15 -0.9618E-11
-14.465 -0.3227E-13 -0.3510E-13 -0.1111E-08
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-14.278 -0.1048E-09 -0.1201E-09 -0.3958E-05
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12.588 0.0000E+00 0.0000E+00 0.0000E+00