LaMnO3:                                 
1.0
       23.7131767273         0.0000000000         0.0000000000
        0.2339352625        23.7099761053         0.0000000000
       -0.0896943242        -0.0883317384        23.5026135260
   La   Mn    O
  216  216  648
Direct
     0.005740279         0.007473534         0.001764437
     0.005740279         0.007473534         0.335097760
     0.005740279         0.007473534         0.668431103
     0.005740279         0.340806872         0.001764437
     0.005740280         0.340806872         0.335097760
     0.005740279         0.340806872         0.668431103
     0.005740279         0.674140215         0.001764437
     0.005740279         0.674140215         0.335097760
     0.005740280         0.674140215         0.668431103
     0.339073628         0.007473534         0.001764437
     0.339073598         0.007473534         0.335097760
     0.339073628         0.007473534         0.668431103
     0.339073598         0.340806872         0.001764437
     0.339073628         0.340806872         0.335097760
     0.339073598         0.340806872         0.668431103
     0.339073598         0.674140215         0.001764437
     0.339073628         0.674140215         0.335097760
     0.339073598         0.674140215         0.668431103
     0.672406971         0.007473534         0.001764437
     0.672406912         0.007473534         0.335097760
     0.672406971         0.007473534         0.668431103
     0.672406971         0.340806872         0.001764437
     0.672406971         0.340806872         0.335097760
     0.672406912         0.340806872         0.668431103
     0.672406912         0.674140215         0.001764437
     0.672406971         0.674140215         0.335097760
     0.672406971         0.674140215         0.668431103
     0.174996451         0.004968314         0.001752250
     0.174996451         0.004968314         0.335085571
     0.174996465         0.004968314         0.668418884
     0.174996451         0.338301629         0.001752250
     0.174996451         0.338301659         0.335085571
     0.174996451         0.338301659         0.668418884
     0.174996465         0.671634972         0.001752250
     0.174996465         0.671634972         0.335085571
     0.174996465         0.671634972         0.668418884
     0.508329809         0.004968314         0.001752250
     0.508329749         0.004968314         0.335085571
     0.508329809         0.004968314         0.668418884
     0.508329809         0.338301629         0.001752250
     0.508329809         0.338301659         0.335085571
     0.508329809         0.338301659         0.668418884
     0.508329749         0.671634972         0.001752250
     0.508329809         0.671634972         0.335085571
     0.508329749         0.671634972         0.668418884
     0.841663122         0.004968314         0.001752250
     0.841663122         0.004968314         0.335085571
     0.841663122         0.004968314         0.668418884
     0.841663063         0.338301629         0.001752250
     0.841663122         0.338301659         0.335085571
     0.841663122         0.338301659         0.668418884
     0.841663122         0.671634972         0.001752250
     0.841663063         0.671634972         0.335085571
     0.841663122         0.671634972         0.668418884
     0.008316693         0.171554849         0.001752534
     0.008316693         0.171554849         0.335085869
     0.008316693         0.171554834         0.668419182
     0.008316692         0.504888177         0.001752534
     0.008316693         0.504888177         0.335085869
     0.008316693         0.504888177         0.668419182
     0.008316693         0.838221490         0.001752534
     0.008316693         0.838221490         0.335085869
     0.008316693         0.838221490         0.668419182
     0.341650039         0.171554849         0.001752534
     0.341650009         0.171554849         0.335085869
     0.341650039         0.171554834         0.668419182
     0.341650039         0.504888177         0.001752534
     0.341650009         0.504888177         0.335085869
     0.341650039         0.504888177         0.668419182
     0.341650009         0.838221490         0.001752534
     0.341650039         0.838221490         0.335085869
     0.341650009         0.838221490         0.668419182
     0.674983323         0.171554849         0.001752534
     0.674983382         0.171554849         0.335085869
     0.674983382         0.171554834         0.668419182
     0.674983323         0.504888177         0.001752534
     0.674983323         0.504888177         0.335085869
     0.674983382         0.504888177         0.668419182
     0.674983382         0.838221490         0.001752534
     0.674983323         0.838221490         0.335085869
     0.674983323         0.838221490         0.668419182
     0.329247147         0.325824976         0.168245971
     0.329247177         0.325824976         0.501579344
     0.329247177         0.325824976         0.834912598
     0.329247147         0.659158289         0.168245971
     0.329247147         0.659158289         0.501579344
     0.329247147         0.659158289         0.834912598
     0.329247147         0.992491603         0.168245971
     0.329247177         0.992491603         0.501579344
     0.329247147         0.992491603         0.834912598
     0.662580490         0.325824976         0.168245971
     0.662580490         0.325824976         0.501579344
     0.662580490         0.325824976         0.834912598
     0.662580490         0.659158289         0.168245971
     0.662580490         0.659158289         0.501579344
     0.662580490         0.659158289         0.834912598
     0.662580490         0.992491603         0.168245971
     0.662580490         0.992491603         0.501579344
     0.662580490         0.992491603         0.834912598
     0.995913863         0.325824976         0.168245971
     0.995913863         0.325824976         0.501579344
     0.995913804         0.325824976         0.834912598
     0.995913804         0.659158289         0.168245971
     0.995913863         0.659158289         0.501579344
     0.995913863         0.659158289         0.834912598
     0.995913804         0.992491603         0.168245971
     0.995913804         0.992491603         0.501579344
     0.995913863         0.992491603         0.834912598
     0.172415927         0.174169630         0.001753729
     0.172415927         0.174169645         0.335087061
     0.172415927         0.174169645         0.668420434
     0.172415942         0.507502973         0.001753729
     0.172415942         0.507502973         0.335087061
     0.172415927         0.507502973         0.668420434
     0.172415927         0.840836287         0.001753729
     0.172415927         0.840836287         0.335087061
     0.172415942         0.840836287         0.668420434
     0.505749285         0.174169630         0.001753729
     0.505749285         0.174169645         0.335087061
     0.505749285         0.174169645         0.668420434
     0.505749285         0.507502973         0.001753729
     0.505749226         0.507502973         0.335087061
     0.505749285         0.507502973         0.668420434
     0.505749285         0.840836287         0.001753729
     0.505749285         0.840836287         0.335087061
     0.505749226         0.840836287         0.668420434
     0.839082599         0.174169630         0.001753729
     0.839082599         0.174169645         0.335087061
     0.839082599         0.174169645         0.668420434
     0.839082539         0.507502973         0.001753729
     0.839082599         0.507502973         0.335087061
     0.839082599         0.507502973         0.668420434
     0.839082658         0.840836287         0.001753729
     0.839082599         0.840836287         0.335087061
     0.839082599         0.840836287         0.668420434
     0.160015106         0.328450978         0.168243483
     0.160015091         0.328450978         0.501576781
     0.160015091         0.328450978         0.834910154
     0.160015091         0.661784291         0.168243483
     0.160015091         0.661784291         0.501576781
     0.160015091         0.661784291         0.834910154
     0.160015091         0.995117664         0.168243483
     0.160015091         0.995117664         0.501576781
     0.160015091         0.995117664         0.834910154
     0.493348420         0.328450978         0.168243483
     0.493348420         0.328450978         0.501576781
     0.493348449         0.328450978         0.834910154
     0.493348449         0.661784291         0.168243483
     0.493348420         0.661784291         0.501576781
     0.493348449         0.661784291         0.834910154
     0.493348420         0.995117664         0.168243483
     0.493348449         0.995117664         0.501576781
     0.493348420         0.995117664         0.834910154
     0.826681793         0.328450978         0.168243483
     0.826681733         0.328450978         0.501576781
     0.826681733         0.328450978         0.834910154
     0.826681793         0.661784291         0.168243483
     0.826681793         0.661784291         0.501576781
     0.826681733         0.661784291         0.834910154
     0.826681733         0.995117664         0.168243483
     0.826681793         0.995117664         0.501576781
     0.826681793         0.995117664         0.834910154
     0.326674998         0.161700711         0.168240756
     0.326674998         0.161700711         0.501574099
     0.326674998         0.161700711         0.834907413
     0.326674998         0.495034039         0.168240756
     0.326674998         0.495034039         0.501574099
     0.326674998         0.495034039         0.834907413
     0.326674998         0.828367352         0.168240756
     0.326674998         0.828367352         0.501574099
     0.326674998         0.828367352         0.834907413
     0.660008311         0.161700711         0.168240756
     0.660008311         0.161700711         0.501574099
     0.660008311         0.161700711         0.834907413
     0.660008311         0.495034039         0.168240756
     0.660008371         0.495034039         0.501574099
     0.660008311         0.495034039         0.834907413
     0.660008311         0.828367352         0.168240756
     0.660008311         0.828367352         0.501574099
     0.660008371         0.828367352         0.834907413
     0.993341684         0.161700711         0.168240756
     0.993341684         0.161700711         0.501574099
     0.993341625         0.161700711         0.834907413
     0.993341684         0.495034039         0.168240756
     0.993341684         0.495034039         0.501574099
     0.993341684         0.495034039         0.834907413
     0.993341625         0.828367352         0.168240756
     0.993341684         0.828367352         0.501574099
     0.993341684         0.828367352         0.834907413
     0.162586659         0.159188673         0.168238521
     0.162586659         0.159188658         0.501571834
     0.162586659         0.159188673         0.834905207
     0.162586659         0.492522001         0.168238521
     0.162586659         0.492522001         0.501571834
     0.162586659         0.492522031         0.834905207
     0.162586644         0.825855374         0.168238521
     0.162586674         0.825855374         0.501571834
     0.162586659         0.825855374         0.834905207
     0.495920002         0.159188673         0.168238521
     0.495920002         0.159188658         0.501571834
     0.495919973         0.159188673         0.834905207
     0.495919973         0.492522001         0.168238521
     0.495920002         0.492522001         0.501571834
     0.495920002         0.492522031         0.834905207
     0.495920002         0.825855374         0.168238521
     0.495919973         0.825855374         0.501571834
     0.495920002         0.825855374         0.834905207
     0.829253316         0.159188673         0.168238521
     0.829253316         0.159188658         0.501571834
     0.829253376         0.159188673         0.834905207
     0.829253316         0.492522001         0.168238521
     0.829253316         0.492522001         0.501571834
     0.829253316         0.492522031         0.834905207
     0.829253316         0.825855374         0.168238521
     0.829253316         0.825855374         0.501571834
     0.829253316         0.825855374         0.834905207
     0.084168613         0.083333172         0.085005082
     0.084168613         0.083333172         0.418338418
     0.084168613         0.083333172         0.751671791
     0.084168613         0.416666508         0.085005082
     0.084168613         0.416666478         0.418338418
     0.084168620         0.416666508         0.751671791
     0.084168606         0.749999881         0.085005082
     0.084168613         0.749999881         0.418338418
     0.084168613         0.749999821         0.751671791
     0.417501956         0.083333172         0.085005082
     0.417501956         0.083333172         0.418338418
     0.417501956         0.083333172         0.751671791
     0.417501926         0.416666508         0.085005082
     0.417501956         0.416666478         0.418338418
     0.417501926         0.416666508         0.751671791
     0.417501956         0.749999881         0.085005082
     0.417501926         0.749999881         0.418338418
     0.417501956         0.749999821         0.751671791
     0.750835240         0.083333172         0.085005082
     0.750835240         0.083333172         0.418338418
     0.750835299         0.083333172         0.751671791
     0.750835299         0.416666508         0.085005082
     0.750835240         0.416666478         0.418338418
     0.750835240         0.416666508         0.751671791
     0.750835299         0.749999881         0.085005082
     0.750835299         0.749999881         0.418338418
     0.750835240         0.749999821         0.751671791
     0.250832140         0.083330259         0.084999472
     0.250832170         0.083330259         0.418332815
     0.250832170         0.083330259         0.751666129
     0.250832170         0.416663617         0.084999472
     0.250832170         0.416663617         0.418332815
     0.250832140         0.416663587         0.751666129
     0.250832170         0.749996960         0.084999472
     0.250832170         0.749996960         0.418332815
     0.250832170         0.749996960         0.751666129
     0.584165514         0.083330259         0.084999472
     0.584165514         0.083330259         0.418332815
     0.584165454         0.083330259         0.751666129
     0.584165514         0.416663617         0.084999472
     0.584165514         0.416663617         0.418332815
     0.584165514         0.416663587         0.751666129
     0.584165514         0.749996960         0.084999472
     0.584165454         0.749996960         0.418332815
     0.584165514         0.749996960         0.751666129
     0.917498887         0.083330259         0.084999472
     0.917498767         0.083330259         0.418332815
     0.917498827         0.083330259         0.751666129
     0.917498827         0.416663617         0.084999472
     0.917498887         0.416663617         0.418332815
     0.917498827         0.416663587         0.751666129
     0.917498827         0.749996960         0.084999472
     0.917498827         0.749996960         0.418332815
     0.917498767         0.749996960         0.751666129
     0.084164038         0.250001788         0.085000388
     0.084164031         0.250001788         0.418333709
     0.084164031         0.250001788         0.751667082
     0.084164031         0.583335102         0.085000388
     0.084164031         0.583335102         0.418333709
     0.084164031         0.583335102         0.751667082
     0.084164031         0.916668475         0.085000388
     0.084164031         0.916668415         0.418333709
     0.084164038         0.916668415         0.751667082
     0.417497367         0.250001788         0.085000388
     0.417497367         0.250001788         0.418333709
     0.417497367         0.250001788         0.751667082
     0.417497337         0.583335102         0.085000388
     0.417497367         0.583335102         0.418333709
     0.417497396         0.583335102         0.751667082
     0.417497367         0.916668475         0.085000388
     0.417497367         0.916668415         0.418333709
     0.417497367         0.916668415         0.751667082
     0.750830710         0.250001788         0.085000388
     0.750830650         0.250001788         0.418333709
     0.750830710         0.250001788         0.751667082
     0.750830710         0.583335102         0.085000388
     0.750830710         0.583335102         0.418333709
     0.750830650         0.583335102         0.751667082
     0.750830710         0.916668475         0.085000388
     0.750830710         0.916668415         0.418333709
     0.750830650         0.916668415         0.751667082
     0.250836134         0.250001252         0.085001975
     0.250836134         0.250001281         0.418335289
     0.250836134         0.250001281         0.751668632
     0.250836134         0.583334565         0.085001975
     0.250836134         0.583334625         0.418335289
     0.250836134         0.583334625         0.751668632
     0.250836134         0.916667938         0.085001975
     0.250836134         0.916667938         0.418335289
     0.250836134         0.916667938         0.751668632
     0.584169447         0.250001252         0.085001975
     0.584169507         0.250001281         0.418335289
     0.584169447         0.250001281         0.751668632
     0.584169447         0.583334565         0.085001975
     0.584169447         0.583334625         0.418335289
     0.584169447         0.583334625         0.751668632
     0.584169507         0.916667938         0.085001975
     0.584169447         0.916667938         0.418335289
     0.584169447         0.916667938         0.751668632
     0.917502820         0.250001252         0.085001975
     0.917502820         0.250001281         0.418335289
     0.917502820         0.250001281         0.751668632
     0.917502761         0.583334565         0.085001975
     0.917502820         0.583334625         0.418335289
     0.917502820         0.583334625         0.751668632
     0.917502761         0.916667938         0.085001975
     0.917502820         0.916667938         0.418335289
     0.917502820         0.916667938         0.751668632
     0.084174164         0.083334543         0.251664400
     0.084174164         0.083334543         0.584997714
     0.084174164         0.083334543         0.918331087
     0.084174171         0.416667849         0.251664400
     0.084174164         0.416667879         0.584997714
     0.084174164         0.416667879         0.918331087
     0.084174164         0.750001252         0.251664400
     0.084174164         0.750001192         0.584997714
     0.084174164         0.750001192         0.918331087
     0.417507499         0.083334543         0.251664400
     0.417507470         0.083334543         0.584997714
     0.417507499         0.083334543         0.918331087
     0.417507499         0.416667849         0.251664400
     0.417507499         0.416667879         0.584997714
     0.417507499         0.416667879         0.918331087
     0.417507470         0.750001252         0.251664400
     0.417507499         0.750001192         0.584997714
     0.417507529         0.750001192         0.918331087
     0.750840783         0.083334543         0.251664400
     0.750840843         0.083334543         0.584997714
     0.750840843         0.083334543         0.918331087
     0.750840843         0.416667849         0.251664400
     0.750840783         0.416667879         0.584997714
     0.750840843         0.416667879         0.918331087
     0.750840843         0.750001252         0.251664400
     0.750840843         0.750001192         0.584997714
     0.750840783         0.750001192         0.918331087
     0.250833899         0.083329067         0.251668245
     0.250833899         0.083329067         0.585001588
     0.250833869         0.083329067         0.918334901
     0.250833899         0.416662395         0.251668245
     0.250833899         0.416662425         0.585001588
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     0.999561310         0.905690670         0.432379127
     0.999561310         0.905690730         0.765712440
     0.073079340         0.999565303         0.905262828
     0.406412661         0.999565303         0.905262828
     0.739746034         0.999565303         0.905262828
