Sg32
open /cryst/compstru.html
type stru1
type stru2
type stru1 32
10.331 10.310 10.564 90. 90. 90.
17
Y 1 4c 0.1864 0.5015 0.739
Y 2 4c 0.4999 0.3139 0.262
Mo 1 4c 0.2028 0.4913 0.354
Mo 2 4c -0.0003 0.2070 0.639
Mo 3 4c 0.2544 0.2471 -0.004
O 1 4c 0.1973 0.5230 0.537
O 2 4c 0.4917 0.3041 0.486
O 3 4c 0.1327 0.0127 0.316
O 4 4c 0.5089 0.1241 0.698
O 5 4c 0.1558 0.1637 0.684
O 6 4c 0.1490 0.3357 0.314
O 7 4c 0.3854 0.3787 0.729
O 8 4c 0.3928 0.1167 0.299
O 9 4c 0.1397 0.1649 0.105
O 10 4c 0.3225 0.1202 0.904
O 11 4c 0.3504 0.3222 0.094
O 12 4c 0.1878 0.3821 0.903
type stru2 32
10.3858 10.4186 10.7004 90. 90. 90.
17
Gd 1 4c 0.4947 0.1878 0.7622
Gd 2 4c 0.3122 0.4940 0.2369
Mo 1 4c 0.4916 0.2069 0.1424
Mo 2 4c 0.2936 0.5034 0.8571
Mo 3 4c 0.2572 0.7439 0.5
O 1 4c 0.385 0.386 0.790
O 2 4c 0.135 0.371 0.206
O 3 4c 0.151 0.159 0.823
O 4 4c 0.348 0.149 0.203
O 5 4c 0.315 0.364 0.399
O 6 4c 0.130 0.321 0.594
O 7 4c 0.361 0.168 0.598
O 8 4c 0.169 0.129 0.410
O 9 4c -.020 0.304 0.978
O 10 4c 0.308 0.484 0.015
O 11 4c 0.005 0.128 0.194
O 12 4c 0.370 -.011 0.808
type maxdist 4
clickAndWait submit
type name=grid 2
click name=aff_mat
clickAndWait name=lattmatch
clickAndWait name=submit
verifyTextPresent Transformation matrix (P, p): -b,-a,-c ; 0,0,0.50445
verifyTextPresent degree of lattice distortion (S)
verifyTextPresent 0.0056
verifyTextPresent maximum distance (dmax.)
verifyTextPresent 0.4573 Å
verifyTextPresent arithmetic mean (dav)
verifyTextPresent 0.1736 Å
verifyTextPresent measure of similarity (Δ)
verifyTextPresent 0.037
click enlace
verifyTextPresent Transformation matrix (P, p)1: a,b,c ; 0,0,0
verifyTextPresent Transformation matrix (P, p)2: -b,-a,-c ; 0,0,0.50445
verifyTextNotPresent Error
open /cryst/compstru.html
type stru1
type stru2
type stru1 32
10.331 10.310 10.564 90. 90. 90.
17
Y 1 4c 0.1864 0.5015 0.739
Y 2 4c 0.4999 0.3139 0.262
Mo 1 4c 0.2028 0.4913 0.354
Mo 2 4c -0.0003 0.2070 0.639
Mo 3 4c 0.2544 0.2471 -0.004
O 1 4c 0.1973 0.5230 0.537
O 2 4c 0.4917 0.3041 0.486
O 3 4c 0.1327 0.0127 0.316
O 4 4c 0.5089 0.1241 0.698
O 5 4c 0.1558 0.1637 0.684
O 6 4c 0.1490 0.3357 0.314
O 7 4c 0.3854 0.3787 0.729
O 8 4c 0.3928 0.1167 0.299
O 9 4c 0.1397 0.1649 0.105
O 10 4c 0.3225 0.1202 0.904
O 11 4c 0.3504 0.3222 0.094
O 12 4c 0.1878 0.3821 0.903
type stru2 32
10.3858 10.4186 10.7004 90. 90. 90.
17
Gd 1 4c 0.4947 0.1878 0.7622
Gd 2 4c 0.3122 0.4940 0.2369
Mo 1 4c 0.4916 0.2069 0.1424
Mo 2 4c 0.2936 0.5034 0.8571
Mo 3 4c 0.2572 0.7439 0.5
O 1 4c 0.385 0.386 0.790
O 2 4c 0.135 0.371 0.206
O 3 4c 0.151 0.159 0.823
O 4 4c 0.348 0.149 0.203
O 5 4c 0.315 0.364 0.399
O 6 4c 0.130 0.321 0.594
O 7 4c 0.361 0.168 0.598
O 8 4c 0.169 0.129 0.410
O 9 4c -.020 0.304 0.978
O 10 4c 0.308 0.484 0.015
O 11 4c 0.005 0.128 0.194
O 12 4c 0.370 -.011 0.808
type maxdist 4
clickAndWait submit
type name=grid 20
click name=aff_mat
clickAndWait name=lattmatch
clickAndWait //input[@name='submit' and @value='No']
clickAndWait submit
verifyTextPresent Transformation matrix (P, p): b,-a,c ; 0,1/2,0.02692
verifyTable //table[6].2.4 O6
verifyTable //table[6].4.4 O12
verifyTable //table[6].6.4 O8
verifyTable //table[6].8.4 Gd1
verifyTable //table[6].10.4 Gd2
verifyTable //table[6].12.4 O5
verifyTable //table[6].14.4 O2
verifyTable //table[6].18.4 O7
verifyTable //table[6].20.4 O9
verifyTable //table[6].24.4 Mo3
verifyTable //table[6].26.4 O4
verifyTable //table[6].28.4 O11
verifyTable //table[6].30.4 O3
verifyTable //table[6].32.4 Mo2
verifyTable //table[6].34.4 O10
verifyTable //table[7].2.3 O6
verifyTable //table[7].3.3 O12
verifyTable //table[7].5.3 Gd1
verifyTable //table[7].8.3 O2
verifyTable //table[7].12.3 Mo1
verifyTable //table[7].15.3 O11
verifyTable //table[7].17.3 Mo2
verifyTable //table[7].18.3 O10
verifyTable //table[8].1.0 0.0057
verifyTable //table[8].1.1 2.5431
verifyTable //table[8].1.2 1.7859
verifyTable //table[8].1.3 0.260
click id=enlace
verifyTextPresent Transformation matrix (P, p)1: a,b,c ; 0,0,0
verifyTextPresent Transformation matrix (P, p)2: b,-a,c ; 0,1/2,0.02692
open /cryst/compstru.html
type stru1
type stru2
type stru1 32
10.331 10.310 10.564 90. 90. 90.
17
Y 1 4c 0.1864 0.5015 0.739
Y 2 4c 0.4999 0.3139 0.262
Mo 1 4c 0.2028 0.4913 0.354
Mo 2 4c -0.0003 0.2070 0.639
Mo 3 4c 0.2544 0.2471 -0.004
O 1 4c 0.1973 0.5230 0.537
O 2 4c 0.4917 0.3041 0.486
O 3 4c 0.1327 0.0127 0.316
O 4 4c 0.5089 0.1241 0.698
O 5 4c 0.1558 0.1637 0.684
O 6 4c 0.1490 0.3357 0.314
O 7 4c 0.3854 0.3787 0.729
O 8 4c 0.3928 0.1167 0.299
O 9 4c 0.1397 0.1649 0.105
O 10 4c 0.3225 0.1202 0.904
O 11 4c 0.3504 0.3222 0.094
O 12 4c 0.1878 0.3821 0.903
type stru2 32
10.3858 10.4186 10.7004 90. 90. 90.
17
Gd 1 4c 0.4947 0.1878 0.7622
Gd 2 4c 0.3122 0.4940 0.2369
Mo 1 4c 0.4916 0.2069 0.1424
Mo 2 4c 0.2936 0.5034 0.8571
Mo 3 4c 0.2572 0.7439 0.5
O 1 4c 0.385 0.386 0.790
O 2 4c 0.135 0.371 0.206
O 3 4c 0.151 0.159 0.823
O 4 4c 0.348 0.149 0.203
O 5 4c 0.315 0.364 0.399
O 6 4c 0.130 0.321 0.594
O 7 4c 0.361 0.168 0.598
O 8 4c 0.169 0.129 0.410
O 9 4c -.020 0.304 0.978
O 10 4c 0.308 0.484 0.015
O 11 4c 0.005 0.128 0.194
O 12 4c 0.370 -.011 0.808
type maxdist 4
clickAndWait submit
type name=grid 2
click name=aff_mat
clickAndWait name=lattmatch
clickAndWait //input[@name='submit' and @value='No']
click name=AxYx1xc
click name=AxGdx2xc
click name=BxMox1xc
click name=BxMox2xc
click name=CxOx1xc
click name=CxOx2xc
clickAndWait name=submit
verifyTextPresent Transformation matrix (P, p): -b,-a,-c ; 0,0,0.50445
verifyTable //table[6].2.4 O12
verifyTable //table[6].4.4 O11
verifyTable //table[6].12.4 O9
verifyTable //table[6].14.4 Mo1
verifyTable //table[6].20.4 Mo2
verifyTable //table[6].22.4 O8
verifyTable //table[6].28.4 O3
verifyTable //table[6].32.4 Mo3
verifyTable //table[6].34.4 O10
verifyTable //table[7].2.3 O12
verifyTable //table[7].3.3 O11
verifyTable //table[7].4.3 O7
verifyTable //table[7].5.3 O1
verifyTable //table[7].6.3 O2
verifyTable //table[7].7.3 O9
verifyTable //table[7].8.3 Mo1
verifyTable //table[7].10.3 Gd1
verifyTable //table[7].11.3 Mo2
verifyTable //table[7].15.3 O3
verifyTable //table[7].17.3 Mo3
verifyTable //table[7].18.3 O10
verifyTextPresent degree of lattice distortion (S)
verifyTable //table[8].1.0 0.0057
verifyTextPresent 0.0057
verifyTextPresent maximum distance (dmax.)
verifyTable //table[8].1.1 0.4573
verifyTextPresent 0.4573 Å
verifyTextPresent arithmetic mean (dav)
verifyTable //table[8].1.2 0.1736
verifyTextPresent 0.1736 Å
verifyTextPresent measure of similarity (Δ)
verifyTable //table[8].1.3 0.037
verifyTextPresent 0.037
click id=enlace
click enlace
verifyTextPresent Transformation matrix (P, p)1: a,b,c ; 0,0,0
verifyTextPresent Transformation matrix (P, p)2: -b,-a,-c ; 0,0,0.50445
open /cryst/compstru.html
type stru1
type stru2
type stru1 32
10.331 10.310 10.564 90. 90. 90.
17
Y 1 4c 0.1864 0.5015 0.739
Y 2 4c 0.4999 0.3139 0.262
Mo 1 4c 0.2028 0.4913 0.354
Mo 2 4c -0.0003 0.2070 0.639
Mo 3 4c 0.2544 0.2471 -0.004
O 1 4c 0.1973 0.5230 0.537
O 2 4c 0.4917 0.3041 0.486
O 3 4c 0.1327 0.0127 0.316
O 4 4c 0.5089 0.1241 0.698
O 5 4c 0.1558 0.1637 0.684
O 6 4c 0.1490 0.3357 0.314
O 7 4c 0.3854 0.3787 0.729
O 8 4c 0.3928 0.1167 0.299
O 9 4c 0.1397 0.1649 0.105
O 10 4c 0.3225 0.1202 0.904
O 11 4c 0.3504 0.3222 0.094
O 12 4c 0.1878 0.3821 0.903
type stru2 32
10.3858 10.4186 10.7004 90. 90. 90.
17
Gd 1 4c 0.4947 0.1878 0.7622
Gd 2 4c 0.3122 0.4940 0.2369
Mo 1 4c 0.4916 0.2069 0.1424
Mo 2 4c 0.2936 0.5034 0.8571
Mo 3 4c 0.2572 0.7439 0.5
O 1 4c 0.385 0.386 0.790
O 2 4c 0.135 0.371 0.206
O 3 4c 0.151 0.159 0.823
O 4 4c 0.348 0.149 0.203
O 5 4c 0.315 0.364 0.399
O 6 4c 0.130 0.321 0.594
O 7 4c 0.361 0.168 0.598
O 8 4c 0.169 0.129 0.410
O 9 4c -.020 0.304 0.978
O 10 4c 0.308 0.484 0.015
O 11 4c 0.005 0.128 0.194
O 12 4c 0.370 -.011 0.808
type maxdist 4
clickAndWait submit
type name=grid 20
click name=aff_mat
clickAndWait name=lattmatch
clickAndWait //input[@name='submit' and @value='No']
click name=AxYx1xc
click name=AxGdx2xc
clickAndWait name=submit
verifyTextPresent Transformation matrix (P, p): -a,b,-c ; 0,0,-0.02497
waitForText //td[5] Gd1
verifyTable //table[6].4.4 Mo1
verifyTable //table[6].6.4 O11
verifyTable //table[6].24.4 O10
verifyTable //table[6].30.4 Gd2
verifyTable //table[6].34.4 O12
verifyTable //table[7].3.3 Mo1
verifyTable //table[7].4.3 O11
verifyTable //table[7].7.3 O8
verifyTable //table[7].13.3 O10
verifyTable //table[7].16.3 Gd2
verifyTable //table[7].18.3 O12
verifyTable //table[8].1.0 0.0057
verifyTable //table[8].1.1 2.5348
verifyTable //table[8].1.2 1.6478
verifyTable //table[8].1.3 0.239