LaMnO3:                                 
1.0
       23.7299327850         0.0000000000         0.0000000000
        0.2116859402        23.7292289158         0.0000000000
       -0.1634987423        -0.1742649642        23.8626074585
   La   Mn    O
  216  216  648
Direct
     0.005528972         0.007803186         0.001741659
     0.005528972         0.007803186         0.335074991
     0.005528972         0.007803186         0.668408334
     0.005528972         0.341136515         0.001741659
     0.005528972         0.341136515         0.335074991
     0.005528972         0.341136515         0.668408334
     0.005528973         0.674469829         0.001741659
     0.005528972         0.674469888         0.335074991
     0.005528972         0.674469888         0.668408334
     0.338862300         0.007803186         0.001741659
     0.338862300         0.007803186         0.335074991
     0.338862300         0.007803186         0.668408334
     0.338862300         0.341136515         0.001741659
     0.338862330         0.341136515         0.335074991
     0.338862330         0.341136515         0.668408334
     0.338862300         0.674469829         0.001741659
     0.338862300         0.674469888         0.335074991
     0.338862300         0.674469888         0.668408334
     0.672195673         0.007803186         0.001741659
     0.672195613         0.007803186         0.335074991
     0.672195613         0.007803186         0.668408334
     0.672195613         0.341136515         0.001741659
     0.672195673         0.341136515         0.335074991
     0.672195673         0.341136515         0.668408334
     0.672195613         0.674469829         0.001741659
     0.672195673         0.674469888         0.335074991
     0.672195613         0.674469888         0.668408334
     0.175277337         0.004739194         0.001735506
     0.175277337         0.004739194         0.335068822
     0.175277323         0.004739194         0.668402195
     0.175277323         0.338072538         0.001735506
     0.175277323         0.338072538         0.335068822
     0.175277323         0.338072538         0.668402195
     0.175277323         0.671405852         0.001735506
     0.175277323         0.671405852         0.335068822
     0.175277337         0.671405852         0.668402195
     0.508610666         0.004739194         0.001735506
     0.508610666         0.004739194         0.335068822
     0.508610666         0.004739194         0.668402195
     0.508610666         0.338072538         0.001735506
     0.508610666         0.338072538         0.335068822
     0.508610666         0.338072538         0.668402195
     0.508610666         0.671405852         0.001735506
     0.508610666         0.671405852         0.335068822
     0.508610666         0.671405852         0.668402195
     0.841944039         0.004739194         0.001735506
     0.841943979         0.004739194         0.335068822
     0.841944039         0.004739194         0.668402195
     0.841943979         0.338072538         0.001735506
     0.841944039         0.338072538         0.335068822
     0.841943979         0.338072538         0.668402195
     0.841943979         0.671405852         0.001735506
     0.841944039         0.671405852         0.335068822
     0.841943979         0.671405852         0.668402195
     0.008672700         0.171389088         0.001686131
     0.008672700         0.171389088         0.335019469
     0.008672700         0.171389088         0.668352842
     0.008672700         0.504722416         0.001686131
     0.008672699         0.504722416         0.335019469
     0.008672700         0.504722416         0.668352842
     0.008672700         0.838055730         0.001686131
     0.008672701         0.838055730         0.335019469
     0.008672700         0.838055730         0.668352842
     0.342006058         0.171389088         0.001686131
     0.342006058         0.171389088         0.335019469
     0.342006058         0.171389088         0.668352842
     0.342006028         0.504722416         0.001686131
     0.342006028         0.504722416         0.335019469
     0.342006028         0.504722416         0.668352842
     0.342006028         0.838055730         0.001686131
     0.342006028         0.838055730         0.335019469
     0.342006028         0.838055730         0.668352842
     0.675339401         0.171389088         0.001686131
     0.675339341         0.171389088         0.335019469
     0.675339401         0.171389088         0.668352842
     0.675339401         0.504722416         0.001686131
     0.675339341         0.504722416         0.335019469
     0.675339401         0.504722416         0.668352842
     0.675339341         0.838055730         0.001686131
     0.675339401         0.838055730         0.335019469
     0.675339341         0.838055730         0.668352842
     0.329404593         0.325527549         0.168287665
     0.329404593         0.325527549         0.501621008
     0.329404593         0.325527549         0.834954321
     0.329404593         0.658860862         0.168287665
     0.329404593         0.658860862         0.501621008
     0.329404593         0.658860862         0.834954321
     0.329404593         0.992194235         0.168287665
     0.329404593         0.992194235         0.501621008
     0.329404593         0.992194235         0.834954321
     0.662737906         0.325527549         0.168287665
     0.662737906         0.325527549         0.501621008
     0.662737906         0.325527549         0.834954321
     0.662737966         0.658860862         0.168287665
     0.662737906         0.658860862         0.501621008
     0.662737906         0.658860862         0.834954321
     0.662737906         0.992194235         0.168287665
     0.662737906         0.992194235         0.501621008
     0.662737906         0.992194235         0.834954321
     0.996071279         0.325527549         0.168287665
     0.996071279         0.325527549         0.501621008
     0.996071279         0.325527549         0.834954321
     0.996071219         0.658860862         0.168287665
     0.996071279         0.658860862         0.501621008
     0.996071219         0.658860862         0.834954321
     0.996071219         0.992194235         0.168287665
     0.996071279         0.992194235         0.501621008
     0.996071219         0.992194235         0.834954321
     0.172267735         0.174472868         0.001715106
     0.172267735         0.174472868         0.335048437
     0.172267735         0.174472868         0.668381810
     0.172267735         0.507806182         0.001715106
     0.172267735         0.507806182         0.335048437
     0.172267735         0.507806182         0.668381810
     0.172267735         0.841139555         0.001715106
     0.172267735         0.841139555         0.335048437
     0.172267735         0.841139555         0.668381810
     0.505601048         0.174472868         0.001715106
     0.505601048         0.174472868         0.335048437
     0.505601048         0.174472868         0.668381810
     0.505601048         0.507806182         0.001715106
     0.505601048         0.507806182         0.335048437
     0.505601048         0.507806182         0.668381810
     0.505601108         0.841139555         0.001715106
     0.505601108         0.841139555         0.335048437
     0.505601108         0.841139555         0.668381810
     0.838934422         0.174472868         0.001715106
     0.838934362         0.174472868         0.335048437
     0.838934422         0.174472868         0.668381810
     0.838934362         0.507806182         0.001715106
     0.838934422         0.507806182         0.335048437
     0.838934422         0.507806182         0.668381810
     0.838934362         0.841139555         0.001715106
     0.838934422         0.841139555         0.335048437
     0.838934362         0.841139555         0.668381810
     0.159656256         0.328611851         0.168310165
     0.159656256         0.328611851         0.501643479
     0.159656271         0.328611851         0.834976852
     0.159656271         0.661945164         0.168310165
     0.159656271         0.661945164         0.501643479
     0.159656271         0.661945164         0.834976852
     0.159656271         0.995278478         0.168310165
     0.159656256         0.995278478         0.501643479
     0.159656256         0.995278478         0.834976852
     0.492989630         0.328611851         0.168310165
     0.492989630         0.328611851         0.501643479
     0.492989600         0.328611851         0.834976852
     0.492989600         0.661945164         0.168310165
     0.492989600         0.661945164         0.501643479
     0.492989600         0.661945164         0.834976852
     0.492989600         0.995278478         0.168310165
     0.492989600         0.995278478         0.501643479
     0.492989600         0.995278478         0.834976852
     0.826322973         0.328611851         0.168310165
     0.826322913         0.328611851         0.501643479
     0.826322973         0.328611851         0.834976852
     0.826322973         0.661945164         0.168310165
     0.826322913         0.661945164         0.501643479
     0.826322973         0.661945164         0.834976852
     0.826322913         0.995278478         0.168310165
     0.826322913         0.995278478         0.501643479
     0.826322913         0.995278478         0.834976852
     0.326386154         0.161930963         0.168260157
     0.326386154         0.161930948         0.501593530
     0.326386154         0.161930948         0.834926784
     0.326386154         0.495264292         0.168260157
     0.326386154         0.495264292         0.501593530
     0.326386154         0.495264292         0.834926784
     0.326386154         0.828597605         0.168260157
     0.326386154         0.828597605         0.501593530
     0.326386154         0.828597605         0.834926784
     0.659719467         0.161930963         0.168260157
     0.659719467         0.161930948         0.501593530
     0.659719467         0.161930948         0.834926784
     0.659719467         0.495264292         0.168260157
     0.659719467         0.495264292         0.501593530
     0.659719467         0.495264292         0.834926784
     0.659719467         0.828597605         0.168260157
     0.659719467         0.828597605         0.501593530
     0.659719467         0.828597605         0.834926784
     0.993052840         0.161930963         0.168260157
     0.993052781         0.161930948         0.501593530
     0.993052840         0.161930948         0.834926784
     0.993052840         0.495264292         0.168260157
     0.993052781         0.495264292         0.501593530
     0.993052840         0.495264292         0.834926784
     0.993052781         0.828597605         0.168260157
     0.993052840         0.828597605         0.501593530
     0.993052840         0.828597605         0.834926784
     0.162810102         0.158862904         0.168257847
     0.162810102         0.158862904         0.501591206
     0.162810102         0.158862889         0.834924459
     0.162810102         0.492196202         0.168257847
     0.162810102         0.492196232         0.501591206
     0.162810117         0.492196232         0.834924459
     0.162810102         0.825529575         0.168257847
     0.162810102         0.825529575         0.501591206
     0.162810102         0.825529575         0.834924459
     0.496143430         0.158862904         0.168257847
     0.496143460         0.158862904         0.501591206
     0.496143460         0.158862889         0.834924459
     0.496143430         0.492196202         0.168257847
     0.496143430         0.492196232         0.501591206
     0.496143430         0.492196232         0.834924459
     0.496143460         0.825529575         0.168257847
     0.496143460         0.825529575         0.501591206
     0.496143460         0.825529575         0.834924459
     0.829476774         0.158862904         0.168257847
     0.829476774         0.158862904         0.501591206
     0.829476774         0.158862889         0.834924459
     0.829476833         0.492196202         0.168257847
     0.829476774         0.492196232         0.501591206
     0.829476833         0.492196232         0.834924459
     0.829476774         0.825529575         0.168257847
     0.829476774         0.825529575         0.501591206
     0.829476714         0.825529575         0.834924459
     0.084168032         0.083332434         0.085002549
     0.084168032         0.083332434         0.418335885
     0.084168024         0.083332434         0.751669168
     0.084168024         0.416665763         0.085002549
     0.084168024         0.416665763         0.418335885
     0.084168024         0.416665763         0.751669168
     0.084168024         0.749999106         0.085002549
     0.084168032         0.749999106         0.418335885
     0.084168032         0.749999106         0.751669168
     0.417501360         0.083332434         0.085002549
     0.417501360         0.083332434         0.418335885
     0.417501360         0.083332434         0.751669168
     0.417501390         0.416665763         0.085002549
     0.417501390         0.416665763         0.418335885
     0.417501390         0.416665763         0.751669168
     0.417501360         0.749999106         0.085002549
     0.417501360         0.749999106         0.418335885
     0.417501360         0.749999106         0.751669168
     0.750834644         0.083332434         0.085002549
     0.750834703         0.083332434         0.418335885
     0.750834703         0.083332434         0.751669168
     0.750834644         0.416665763         0.085002549
     0.750834703         0.416665763         0.418335885
     0.750834644         0.416665763         0.751669168
     0.750834703         0.749999106         0.085002549
     0.750834703         0.749999106         0.418335885
     0.750834703         0.749999106         0.751669168
     0.250835270         0.083332464         0.084999003
     0.250835270         0.083332464         0.418332338
     0.250835270         0.083332464         0.751665652
     0.250835270         0.416665822         0.084999003
     0.250835299         0.416665822         0.418332338
     0.250835299         0.416665822         0.751665652
     0.250835299         0.749999166         0.084999003
     0.250835299         0.749999166         0.418332338
     0.250835270         0.749999166         0.751665652
     0.584168613         0.083332464         0.084999003
     0.584168613         0.083332464         0.418332338
     0.584168613         0.083332464         0.751665652
     0.584168613         0.416665822         0.084999003
     0.584168613         0.416665822         0.418332338
     0.584168613         0.416665822         0.751665652
     0.584168613         0.749999166         0.084999003
     0.584168613         0.749999166         0.418332338
     0.584168613         0.749999166         0.751665652
     0.917501926         0.083332464         0.084999003
     0.917501986         0.083332464         0.418332338
     0.917501926         0.083332464         0.751665652
     0.917501926         0.416665822         0.084999003
     0.917501986         0.416665822         0.418332338
     0.917501926         0.416665822         0.751665652
     0.917501926         0.749999166         0.084999003
     0.917501926         0.749999166         0.418332338
     0.917501926         0.749999166         0.751665652
     0.084167928         0.249999776         0.084999114
     0.084167928         0.249999776         0.418332458
     0.084167928         0.249999776         0.751665771
     0.084167928         0.583333135         0.084999114
     0.084167935         0.583333135         0.418332458
     0.084167928         0.583333135         0.751665771
     0.084167928         0.916666448         0.084999114
     0.084167928         0.916666448         0.418332458
     0.084167928         0.916666448         0.751665771
     0.417501271         0.249999776         0.084999114
     0.417501271         0.249999776         0.418332458
     0.417501271         0.249999776         0.751665771
     0.417501271         0.583333135         0.084999114
     0.417501271         0.583333135         0.418332458
     0.417501271         0.583333135         0.751665771
     0.417501241         0.916666448         0.084999114
     0.417501241         0.916666448         0.418332458
     0.417501241         0.916666448         0.751665771
     0.750834584         0.249999776         0.084999114
     0.750834644         0.249999776         0.418332458
     0.750834584         0.249999776         0.751665771
     0.750834584         0.583333135         0.084999114
     0.750834584         0.583333135         0.418332458
     0.750834584         0.583333135         0.751665771
     0.750834644         0.916666448         0.084999114
     0.750834584         0.916666448         0.418332458
     0.750834644         0.916666448         0.751665771
     0.250834376         0.250000358         0.085003294
     0.250834405         0.250000358         0.418336630
     0.250834405         0.250000358         0.751670003
     0.250834405         0.583333731         0.085003294
     0.250834405         0.583333731         0.418336630
     0.250834376         0.583333731         0.751670003
     0.250834376         0.916667044         0.085003294
     0.250834376         0.916667044         0.418336630
     0.250834376         0.916667044         0.751670003
     0.584167719         0.250000358         0.085003294
     0.584167719         0.250000358         0.418336630
     0.584167719         0.250000358         0.751670003
     0.584167719         0.583333731         0.085003294
     0.584167719         0.583333731         0.418336630
     0.584167719         0.583333731         0.751670003
     0.584167719         0.916667044         0.085003294
     0.584167719         0.916667044         0.418336630
     0.584167719         0.916667044         0.751670003
     0.917501032         0.250000358         0.085003294
     0.917501092         0.250000358         0.418336630
     0.917501032         0.250000358         0.751670003
     0.917501032         0.583333731         0.085003294
     0.917501092         0.583333731         0.418336630
     0.917501032         0.583333731         0.751670003
     0.917501032         0.916667044         0.085003294
     0.917501032         0.916667044         0.418336630
     0.917501032         0.916667044         0.751670003
     0.084172502         0.083332881         0.251666069
     0.084172495         0.083332889         0.584999382
     0.084172495         0.083332889         0.918332696
     0.084172502         0.416666210         0.251666069
     0.084172502         0.416666210         0.584999382
     0.084172495         0.416666210         0.918332696
     0.084172495         0.749999523         0.251666069
     0.084172495         0.749999523         0.584999382
     0.084172495         0.749999523         0.918332696
     0.417505831         0.083332881         0.251666069
     0.417505831         0.083332889         0.584999382
     0.417505801         0.083332889         0.918332696
     0.417505831         0.416666210         0.251666069
     0.417505831         0.416666210         0.584999382
     0.417505831         0.416666210         0.918332696
     0.417505860         0.749999523         0.251666069
     0.417505860         0.749999523         0.584999382
     0.417505860         0.749999523         0.918332696
     0.750839174         0.083332881         0.251666069
     0.750839174         0.083332889         0.584999382
     0.750839174         0.083332889         0.918332696
     0.750839114         0.416666210         0.251666069
     0.750839174         0.416666210         0.584999382
     0.750839174         0.416666210         0.918332696
     0.750839114         0.749999523         0.251666069
     0.750839174         0.749999523         0.584999382
     0.750839114         0.749999523         0.918332696
     0.250838995         0.083330721         0.251665384
     0.250838995         0.083330721         0.584998727
     0.250838995         0.083330721         0.918332040
     0.250838995         0.416664034         0.251665384
     0.250838995         0.416664034         0.584998727
     0.250838995         0.416664034         0.918332040
     0.250838995         0.749997377         0.251665384
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     0.739621401         0.999422610         0.434050381
     0.739143729         0.999839246         0.571549594
     0.739621341         0.999422610         0.767383695
     0.072477035         0.999839246         0.904882967
     0.405810356         0.999839246         0.904882967
     0.739143670         0.999839246         0.904882967
