LaMnO3:                                 
1.0
       23.6851844788         0.0000000000         0.0000000000
        0.1795849682        23.6814403576         0.0000000000
       -0.1387968876        -0.1390379104        23.7939391781
   La   Mn    O
  216  216  648
Direct
     0.005462573         0.007507653         0.001781355
     0.005462573         0.007507653         0.335114688
     0.005462572         0.007507653         0.668448031
     0.005462572         0.340840995         0.001781355
     0.005462572         0.340840966         0.335114688
     0.005462572         0.340840966         0.668448031
     0.005462572         0.674174309         0.001781355
     0.005462573         0.674174309         0.335114688
     0.005462572         0.674174309         0.668448031
     0.338795900         0.007507653         0.001781355
     0.338795900         0.007507653         0.335114688
     0.338795900         0.007507653         0.668448031
     0.338795900         0.340840995         0.001781355
     0.338795900         0.340840966         0.335114688
     0.338795900         0.340840966         0.668448031
     0.338795900         0.674174309         0.001781355
     0.338795900         0.674174309         0.335114688
     0.338795900         0.674174309         0.668448031
     0.672129214         0.007507653         0.001781355
     0.672129214         0.007507653         0.335114688
     0.672129214         0.007507653         0.668448031
     0.672129214         0.340840995         0.001781355
     0.672129273         0.340840966         0.335114688
     0.672129273         0.340840966         0.668448031
     0.672129214         0.674174309         0.001781355
     0.672129214         0.674174309         0.335114688
     0.672129214         0.674174309         0.668448031
     0.175007418         0.004642905         0.001741466
     0.175007418         0.004642905         0.335074782
     0.175007418         0.004642905         0.668408096
     0.175007418         0.337976247         0.001741466
     0.175007418         0.337976247         0.335074782
     0.175007433         0.337976217         0.668408096
     0.175007418         0.671309590         0.001741466
     0.175007418         0.671309531         0.335074782
     0.175007433         0.671309590         0.668408096
     0.508340716         0.004642905         0.001741466
     0.508340716         0.004642905         0.335074782
     0.508340716         0.004642905         0.668408096
     0.508340776         0.337976247         0.001741466
     0.508340776         0.337976247         0.335074782
     0.508340776         0.337976217         0.668408096
     0.508340716         0.671309590         0.001741466
     0.508340716         0.671309531         0.335074782
     0.508340716         0.671309590         0.668408096
     0.841674089         0.004642905         0.001741466
     0.841674089         0.004642905         0.335074782
     0.841674089         0.004642905         0.668408096
     0.841674030         0.337976247         0.001741466
     0.841674089         0.337976247         0.335074782
     0.841674030         0.337976217         0.668408096
     0.841674089         0.671309590         0.001741466
     0.841674089         0.671309531         0.335074782
     0.841674089         0.671309590         0.668408096
     0.008322795         0.171326578         0.001739038
     0.008322795         0.171326578         0.335072368
     0.008322795         0.171326578         0.668405712
     0.008322795         0.504659891         0.001739038
     0.008322794         0.504659951         0.335072368
     0.008322795         0.504659891         0.668405712
     0.008322794         0.837993264         0.001739038
     0.008322794         0.837993205         0.335072368
     0.008322795         0.837993264         0.668405712
     0.341656148         0.171326578         0.001739038
     0.341656148         0.171326578         0.335072368
     0.341656148         0.171326578         0.668405712
     0.341656119         0.504659891         0.001739038
     0.341656119         0.504659951         0.335072368
     0.341656119         0.504659891         0.668405712
     0.341656148         0.837993264         0.001739038
     0.341656148         0.837993205         0.335072368
     0.341656148         0.837993264         0.668405712
     0.674989462         0.171326578         0.001739038
     0.674989462         0.171326578         0.335072368
     0.674989462         0.171326578         0.668405712
     0.674989522         0.504659891         0.001739038
     0.674989462         0.504659951         0.335072368
     0.674989462         0.504659891         0.668405712
     0.674989462         0.837993264         0.001739038
     0.674989462         0.837993205         0.335072368
     0.674989462         0.837993264         0.668405712
     0.329554528         0.325834572         0.168303102
     0.329554528         0.325834572         0.501636446
     0.329554528         0.325834572         0.834969759
     0.329554528         0.659167886         0.168303102
     0.329554528         0.659167886         0.501636446
     0.329554528         0.659167945         0.834969759
     0.329554528         0.992501259         0.168303102
     0.329554528         0.992501199         0.501636446
     0.329554528         0.992501259         0.834969759
     0.662887871         0.325834572         0.168303102
     0.662887871         0.325834572         0.501636446
     0.662887871         0.325834572         0.834969759
     0.662887871         0.659167886         0.168303102
     0.662887871         0.659167886         0.501636446
     0.662887871         0.659167945         0.834969759
     0.662887871         0.992501259         0.168303102
     0.662887871         0.992501199         0.501636446
     0.662887871         0.992501259         0.834969759
     0.996221244         0.325834572         0.168303102
     0.996221185         0.325834572         0.501636446
     0.996221244         0.325834572         0.834969759
     0.996221244         0.659167886         0.168303102
     0.996221185         0.659167886         0.501636446
     0.996221244         0.659167945         0.834969759
     0.996221185         0.992501259         0.168303102
     0.996221244         0.992501199         0.501636446
     0.996221185         0.992501259         0.834969759
     0.172098026         0.174153343         0.001695186
     0.172098026         0.174153358         0.335028529
     0.172098026         0.174153343         0.668361843
     0.172098026         0.507486701         0.001695186
     0.172098026         0.507486701         0.335028529
     0.172098026         0.507486701         0.668361843
     0.172098026         0.840820014         0.001695186
     0.172098026         0.840819955         0.335028529
     0.172098026         0.840820014         0.668361843
     0.505431354         0.174153343         0.001695186
     0.505431354         0.174153358         0.335028529
     0.505431354         0.174153343         0.668361843
     0.505431354         0.507486701         0.001695186
     0.505431354         0.507486701         0.335028529
     0.505431354         0.507486701         0.668361843
     0.505431354         0.840820014         0.001695186
     0.505431354         0.840819955         0.335028529
     0.505431354         0.840820014         0.668361843
     0.838764727         0.174153343         0.001695186
     0.838764668         0.174153358         0.335028529
     0.838764727         0.174153343         0.668361843
     0.838764668         0.507486701         0.001695186
     0.838764668         0.507486701         0.335028529
     0.838764668         0.507486701         0.668361843
     0.838764668         0.840820014         0.001695186
     0.838764727         0.840819955         0.335028529
     0.838764668         0.840820014         0.668361843
     0.160016179         0.328683943         0.168252781
     0.160016179         0.328683943         0.501586139
     0.160016179         0.328683943         0.834919453
     0.160016179         0.662017286         0.168252781
     0.160016179         0.662017286         0.501586139
     0.160016179         0.662017286         0.834919453
     0.160016179         0.995350599         0.168252781
     0.160016179         0.995350659         0.501586139
     0.160016179         0.995350599         0.834919453
     0.493349522         0.328683943         0.168252781
     0.493349522         0.328683943         0.501586139
     0.493349522         0.328683943         0.834919453
     0.493349493         0.662017286         0.168252781
     0.493349493         0.662017286         0.501586139
     0.493349493         0.662017286         0.834919453
     0.493349522         0.995350599         0.168252781
     0.493349522         0.995350659         0.501586139
     0.493349522         0.995350599         0.834919453
     0.826682806         0.328683943         0.168252781
     0.826682866         0.328683943         0.501586139
     0.826682806         0.328683943         0.834919453
     0.826682806         0.662017286         0.168252781
     0.826682866         0.662017286         0.501586139
     0.826682806         0.662017286         0.834919453
     0.826682866         0.995350599         0.168252781
     0.826682806         0.995350659         0.501586139
     0.826682866         0.995350599         0.834919453
     0.326678723         0.162040517         0.168249771
     0.326678723         0.162040517         0.501583099
     0.326678723         0.162040517         0.834916472
     0.326678723         0.495373875         0.168249771
     0.326678723         0.495373845         0.501583099
     0.326678723         0.495373845         0.834916472
     0.326678723         0.828707159         0.168249771
     0.326678723         0.828707218         0.501583099
     0.326678723         0.828707159         0.834916472
     0.660012007         0.162040517         0.168249771
     0.660012007         0.162040517         0.501583099
     0.660012007         0.162040517         0.834916472
     0.660012066         0.495373875         0.168249771
     0.660012066         0.495373845         0.501583099
     0.660012066         0.495373845         0.834916472
     0.660012007         0.828707159         0.168249771
     0.660012007         0.828707218         0.501583099
     0.660012007         0.828707159         0.834916472
     0.993345380         0.162040517         0.168249771
     0.993345380         0.162040517         0.501583099
     0.993345380         0.162040517         0.834916472
     0.993345380         0.495373875         0.168249771
     0.993345320         0.495373845         0.501583099
     0.993345380         0.495373845         0.834916472
     0.993345380         0.828707159         0.168249771
     0.993345380         0.828707218         0.501583099
     0.993345380         0.828707159         0.834916472
     0.162852153         0.159146294         0.168225169
     0.162852168         0.159146294         0.501558483
     0.162852168         0.159146309         0.834891856
     0.162852153         0.492479622         0.168225169
     0.162852168         0.492479622         0.501558483
     0.162852168         0.492479622         0.834891856
     0.162852153         0.825812995         0.168225169
     0.162852168         0.825812936         0.501558483
     0.162852168         0.825812936         0.834891856
     0.496185482         0.159146294         0.168225169
     0.496185482         0.159146294         0.501558483
     0.496185482         0.159146309         0.834891856
     0.496185511         0.492479622         0.168225169
     0.496185511         0.492479622         0.501558483
     0.496185511         0.492479622         0.834891856
     0.496185482         0.825812995         0.168225169
     0.496185482         0.825812936         0.501558483
     0.496185482         0.825812936         0.834891856
     0.829518855         0.159146294         0.168225169
     0.829518795         0.159146294         0.501558483
     0.829518855         0.159146309         0.834891856
     0.829518795         0.492479622         0.168225169
     0.829518855         0.492479622         0.501558483
     0.829518795         0.492479622         0.834891856
     0.829518795         0.825812995         0.168225169
     0.829518855         0.825812936         0.501558483
     0.829518795         0.825812936         0.834891856
     0.084170252         0.083334707         0.085010037
     0.084170252         0.083334707         0.418343365
     0.084170252         0.083334707         0.751676679
     0.084170252         0.416668028         0.085010037
     0.084170252         0.416668057         0.418343365
     0.084170252         0.416668028         0.751676679
     0.084170252         0.750001371         0.085010037
     0.084170252         0.750001311         0.418343365
     0.084170252         0.750001371         0.751676679
     0.417503595         0.083334707         0.085010037
     0.417503595         0.083334707         0.418343365
     0.417503595         0.083334707         0.751676679
     0.417503566         0.416668028         0.085010037
     0.417503566         0.416668057         0.418343365
     0.417503566         0.416668028         0.751676679
     0.417503595         0.750001371         0.085010037
     0.417503595         0.750001311         0.418343365
     0.417503595         0.750001371         0.751676679
     0.750836909         0.083334707         0.085010037
     0.750836909         0.083334707         0.418343365
     0.750836909         0.083334707         0.751676679
     0.750836909         0.416668028         0.085010037
     0.750836968         0.416668057         0.418343365
     0.750836909         0.416668028         0.751676679
     0.750836909         0.750001371         0.085010037
     0.750836909         0.750001311         0.418343365
     0.750836909         0.750001371         0.751676679
     0.250832558         0.083329216         0.084989019
     0.250832558         0.083329216         0.418322325
     0.250832558         0.083329216         0.751655698
     0.250832558         0.416662544         0.084989019
     0.250832558         0.416662574         0.418322325
     0.250832558         0.416662544         0.751655698
     0.250832558         0.749995828         0.084989019
     0.250832558         0.749995887         0.418322325
     0.250832558         0.749995887         0.751655698
     0.584165931         0.083329216         0.084989019
     0.584165931         0.083329216         0.418322325
     0.584165871         0.083329216         0.751655698
     0.584165871         0.416662544         0.084989019
     0.584165871         0.416662574         0.418322325
     0.584165871         0.416662544         0.751655698
     0.584165931         0.749995828         0.084989019
     0.584165871         0.749995887         0.418322325
     0.584165871         0.749995887         0.751655698
     0.917499185         0.083329216         0.084989019
     0.917499244         0.083329216         0.418322325
     0.917499185         0.083329216         0.751655698
     0.917499244         0.416662544         0.084989019
     0.917499244         0.416662574         0.418322325
     0.917499244         0.416662544         0.751655698
     0.917499244         0.749995828         0.084989019
     0.917499185         0.749995887         0.418322325
     0.917499244         0.749995887         0.751655698
     0.084166937         0.249999508         0.084994145
     0.084166937         0.249999493         0.418327510
     0.084166937         0.249999508         0.751660824
     0.084166929         0.583332837         0.084994145
     0.084166929         0.583332837         0.418327510
     0.084166937         0.583332837         0.751660824
     0.084166929         0.916666210         0.084994145
     0.084166929         0.916666150         0.418327510
     0.084166929         0.916666150         0.751660824
     0.417500257         0.249999508         0.084994145
     0.417500257         0.249999493         0.418327510
     0.417500257         0.249999508         0.751660824
     0.417500287         0.583332837         0.084994145
     0.417500287         0.583332837         0.418327510
     0.417500287         0.583332837         0.751660824
     0.417500257         0.916666210         0.084994145
     0.417500257         0.916666150         0.418327510
     0.417500257         0.916666150         0.751660824
     0.750833631         0.249999508         0.084994145
     0.750833571         0.249999493         0.418327510
     0.750833631         0.249999508         0.751660824
     0.750833571         0.583332837         0.084994145
     0.750833631         0.583332837         0.418327510
     0.750833571         0.583332837         0.751660824
     0.750833571         0.916666210         0.084994145
     0.750833631         0.916666150         0.418327510
     0.750833571         0.916666150         0.751660824
     0.250836849         0.250003427         0.085007876
     0.250836849         0.250003427         0.418341219
     0.250836849         0.250003427         0.751674533
     0.250836849         0.583336771         0.085007876
     0.250836849         0.583336771         0.418341219
     0.250836849         0.583336771         0.751674533
     0.250836849         0.916670144         0.085007876
     0.250836849         0.916670084         0.418341219
     0.250836849         0.916670084         0.751674533
     0.584170222         0.250003427         0.085007876
     0.584170222         0.250003427         0.418341219
     0.584170163         0.250003427         0.751674533
     0.584170163         0.583336771         0.085007876
     0.584170163         0.583336771         0.418341219
     0.584170163         0.583336771         0.751674533
     0.584170222         0.916670144         0.085007876
     0.584170222         0.916670084         0.418341219
     0.584170163         0.916670084         0.751674533
     0.917503476         0.250003427         0.085007876
     0.917503536         0.250003427         0.418341219
     0.917503476         0.250003427         0.751674533
     0.917503536         0.583336771         0.085007876
     0.917503536         0.583336771         0.418341219
     0.917503536         0.583336771         0.751674533
     0.917503536         0.916670144         0.085007876
     0.917503476         0.916670084         0.418341219
     0.917503536         0.916670084         0.751674533
     0.084172249         0.083330289         0.251669526
     0.084172249         0.083330289         0.585002840
     0.084172249         0.083330289         0.918336213
     0.084172241         0.416663617         0.251669526
     0.084172249         0.416663647         0.585002840
     0.084172249         0.416663617         0.918336213
     0.084172241         0.749996901         0.251669526
     0.084172249         0.749996960         0.585002840
     0.084172249         0.749996960         0.918336213
     0.417505592         0.083330289         0.251669526
     0.417505592         0.083330289         0.585002840
     0.417505592         0.083330289         0.918336213
     0.417505592         0.416663617         0.251669526
     0.417505592         0.416663647         0.585002840
     0.417505592         0.416663617         0.918336213
     0.417505592         0.749996901         0.251669526
     0.417505592         0.749996960         0.585002840
     0.417505592         0.749996960         0.918336213
     0.750838935         0.083330289         0.251669526
     0.750838935         0.083330289         0.585002840
     0.750838935         0.083330289         0.918336213
     0.750838935         0.416663617         0.251669526
     0.750838876         0.416663647         0.585002840
     0.750838935         0.416663617         0.918336213
     0.750838935         0.749996901         0.251669526
     0.750838935         0.749996960         0.585002840
     0.750838935         0.749996960         0.918336213
     0.250837475         0.083332986         0.251663774
     0.250837475         0.083332986         0.584997118
     0.250837475         0.083332986         0.918330431
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     0.739391506         0.999796927         0.238456562
     0.740034997         0.999598384         0.433491766
     0.739391446         0.999796927         0.571789920
     0.740035057         0.999598384         0.766825140
     0.072724804         0.999796927         0.905123234
     0.406058162         0.999796927         0.905123234
     0.739391506         0.999796927         0.905123234
