KTiI3 | ||
open | /cryst/compstru.html | |
type | stru1 | |
type | stru2 | |
type | stru1 | 173 13.535977 13.535977 6.646200 90.000000 90.000000 120.000000 7 Ti 1 2a 0.000000 0.000000 0.200000 Ti 1_2 2b 0.666667 0.333333 0.200000 Ti 1_3 2b 0.333333 0.666667 0.200000 K 1 6c 0.333334 0.000000 0.950000 I 1 6c 0.160000 0.000000 0.450000 I 1_2 6c 0.826667 0.333333 0.450000 I 1_3 6c 0.493333 0.666667 0.450000 |
type | stru2 | 173 13.536 13.536 6.6462 90.00 90.00 120.00 7 K 1 6c 0.005900 0.321000 0.907000 Ti 1 2a 0.000000 0.000000 0.604000 Ti 2 2b 0.666667 0.333333 0.772000 Ti 3 2b 0.666667 0.333333 0.273000 I 1 6c 0.158700 0.178800 0.852000 I 2 6c 0.481300 0.282700 0.016800 I 3 6c 0.856800 0.385800 0.515200 |
clickAndWait | submit | |
clickAndWait | name=lattmatch | |
verifyTextPresent | Transformation matrix (P, p): a,b,c ; 0,0,0.00147 | |
verifyTextPresent | 2a | |
verifyTextPresent | (0,0,z) | |
verifyTextPresent | Ti1 | |
verifyTextPresent | (0.000000,0.000000,0.200000) | |
verifyTextPresent | Ti1 | |
verifyTextPresent | (0.000000,0.000000,0.102533) | |
verifyTextPresent | 2b | |
verifyTextPresent | (1/3,2/3,z) | |
verifyTextPresent | Ti1_2 | |
verifyTextPresent | (0.666667,0.333333,0.200000) | |
verifyTextPresent | Ti3 | |
verifyTextPresent | (0.666667,0.333333,0.271533) | |
verifyTextPresent | 2b | |
verifyTextPresent | (1/3,2/3,z) | |
verifyTextPresent | Ti1_3 | |
verifyTextPresent | (0.333333,0.666667,0.200000) | |
verifyTextPresent | Ti2 | |
verifyTextPresent | 6c | |
verifyTextPresent | (x,y,z) | |
verifyTextPresent | K1 | |
verifyTextPresent | (0.333333,0.000000,0.950000) | |
verifyTextPresent | K1 | |
verifyTextPresent | (0.315100,0.994100,0.905533) | |
verifyTextPresent | 6c | |
verifyTextPresent | (x,y,z) | |
verifyTextPresent | I1 | |
verifyTextPresent | (0.160000,0.000000,0.450000) | |
verifyTextPresent | I1 | |
verifyTextPresent | (0.178800,0.020100,0.350533) | |
verifyTextPresent | 6c | |
verifyTextPresent | (x,y,z) | |
verifyTextPresent | I1_2 | |
verifyTextPresent | (0.826667,0.333333,0.450000) | |
verifyTextPresent | I3 | |
verifyTextPresent | (0.856800,0.385800,0.513733) | |
verifyTextPresent | 6c | |
verifyTextPresent | (x,y,z) | |
verifyTextPresent | I1_3 | |
verifyTextPresent | (0.493333,0.666667,0.450000) | |
verifyTextPresent | I2 | |
verifyTextPresent | 0.6478 | |
verifyTextPresent | 0.4754 | |
verifyTextPresent | 0.4688 | |
verifyTextPresent | 0.3673 | |
verifyTextPresent | 0.7117 | |
verifyTextPresent | 0.7487 | |
verifyTextPresent | 0.7354 | |
verifyTextPresent | arithmetic mean | |
verifyTextPresent | 0.6188 Å | |
verifyTextPresent | measure of similarity | |
verifyTextPresent | 0.052 | |
verifyTextPresent | degree of lattice distortion | |
verifyTextPresent | 0.0000 | |
verifyTextPresent | maximum distance | |
verifyTextPresent | 0.7487 Å | |
click | id=enlace | |
verifyTextPresent | (P, p)1: a,b,c ; 0,0,0 | |
verifyTextPresent | (P, p)2: a,b,c ; 0,0,0.00147 |