Datasets:
LeMaterial
/
LeMat-Bulk-MLIP-Formation-Energies

Dataset card Data Studio Files
xet
Community
data_dataset_pos
int64
0
1.96M
mace_mp_energy
float64
-2,613.03
16k
mace_omat_energy
float64
-2,613.03
16k
orb_energy
float64
-2,562.33
1.93k
uma_energy
float64
-2,615.15
1.19k
immutable_id
stringlengths
4
13
true_energy
float64
-2,617.15
5.19k
nsites
int64
1
444
species_at_sites
stringlengths
5
1.85k
formation_energy
float64
-904.18
5.21k
formation_energy_per_atom
float64
-5.46
651
900
-263.2623
-263.26233
-261.6906
-264.44376
mp-703516
-266.30371
48
['K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'Ti' 'Ti' 'Ti' 'Ti' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-108.532222
-2.261088
901
-237.9267
-237.9267
-231.61774
-238.46144
mp-769122
-239.923334
50
['Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Sb' 'Sb' 'Sb' 'Sb' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-99.312769
-1.986255
902
-185.10486
-185.10486
-181.88203
-185.02455
mp-541374
-186.898948
36
['Rb' 'Rb' 'Rb' 'Rb' 'Mn' 'Mn' 'Mn' 'Mn' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'O' 'O' 'O' 'O' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H']
-68.52196
-1.903388
903
-409.36914
-409.36917
-399.24908
-410.25204
mp-1181030
-412.071398
78
['Mn' 'Mn' 'Mn' 'Si' 'Si' 'Si' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-122.32809
-1.568309
904
-983.87524
-983.87524
-937.8433
-987.5592
mp-728422
-987.789246
192
['Mo' 'Mo' 'Mo' 'Mo' 'Mo' 'Mo' 'Mo' 'Mo' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-179.183032
-0.933245
905
-392.86554
-392.86557
-375.61093
-396.54376
mp-850868
-398.09035
72
['Nb' 'Nb' 'Nb' 'Nb' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-103.94698
-1.443708
906
-232.88986
-232.88986
-230.17139
-233.42378
mp-743965
-234.171639
50
['Si' 'Si' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'N' 'N' 'N' 'N' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-45.810655
-0.916213
907
-574.03455
-574.0346
-549.841
-576.9012
mp-707889
-576.563588
106
['Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-185.688689
-1.75178
908
-215.93489
-215.93486
-211.2792
-216.21727
agm003249121
-218.060384
44
['Na' 'Na' 'Na' 'Na' 'P' 'P' 'P' 'P' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-98.118079
-2.229956
909
-330.8617
-330.8617
-328.6125
-330.9173
mp-774810
-331.675734
56
['Rb' 'Rb' 'Rb' 'Rb' 'Rb' 'Rb' 'Rb' 'Rb' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-118.784414
-2.12115
910
-215.50719
-215.50719
-210.70752
-215.82117
agm005259513
-216.062545
30
['Na' 'Na' 'Na' 'Na' 'Na' 'Ho' 'Ho' 'Ho' 'Ho' 'Si' 'Si' 'Si' 'Si' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F']
-88.11217
-2.937072
911
-62.582443
-62.582443
-63.12567
-62.817245
agm2000037589
-64.797814
20
['In' 'In' 'In' 'In' 'In' 'In' 'In' 'In' 'In' 'In' 'In' 'In' 'As' 'As' 'As' 'As' 'As' 'As' 'As' 'As']
5.451722
0.272586
912
-537.71405
-537.71405
-537.01917
-539.4004
mp-560219
-541.8479
100
['K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-158.848024
-1.58848
913
-27.201042
-27.201044
-27.036098
-27.1494
agm005408767
-26.923955
5
['As' 'As' 'As' 'As' 'Ir']
0.55066
0.110132
914
-234.17
-234.16998
-233.10214
-234.35245
mp-554643
-235.612734
44
['K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'Sb' 'Sb' 'Sb' 'Sb' 'S' 'S' 'S' 'S' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-91.402945
-2.07734
915
-418.8261
-418.8261
-413.88376
-419.1194
mp-1198649
-419.397106
58
['K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'Y' 'Y' 'Y' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F']
-162.412573
-2.800217
916
-67.706726
-67.70672
-66.36474
-67.70921
agm005506345
-68.234198
10
['Sc' 'Sc' 'Co' 'Co' 'Co' 'Co' 'Si' 'Si' 'Si' 'Si']
-5.435361
-0.543536
917
-279.41904
-279.419
-274.17847
-279.56622
mp-694947
-281.849685
40
['Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'La' 'La' 'La' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-90.641282
-2.266032
918
-367.32162
-367.32162
-365.31317
-367.77887
mp-558478
-368.700698
48
['La' 'La' 'La' 'La' 'La' 'La' 'La' 'La' 'La' 'La' 'La' 'La' 'Nb' 'Nb' 'Nb' 'Nb' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-146.21137
-3.04607
919
-329.41547
-329.41547
-325.86038
-332.59885
mp-559971
-332.999203
60
['Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'N' 'N' 'N' 'N' 'N' 'N' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-79.953757
-1.332563
920
-452.9347
-452.9347
-448.21167
-454.35678
mp-979340
-455.472242
64
['Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-102.863932
-1.607249
921
-428.75876
-428.75876
-409.33093
-428.8302
mp-554446
-429.346531
72
['Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Ni' 'Ni' 'Ni' 'Ni' 'Ni' 'Ni' 'Ni' 'Ni' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-135.216552
-1.878008
922
-117.52793
-117.52793
-116.2097
-117.321106
agm003228041
-118.168801
22
['Li' 'Li' 'Sb' 'Sb' 'P' 'P' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-52.458968
-2.384499
923
-120.3697
-120.3697
-117.34943
-120.17027
agm005524794
-120.266564
18
['P' 'P' 'F' 'F' 'Li' 'Li' 'Li' 'Li' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'Ti' 'Ti']
-42.501438
-2.361191
924
-83.579636
-83.579636
-81.82588
-83.74908
agm005512013
-84.345289
12
['Sc' 'Sc' 'Sc' 'Sc' 'Si' 'Si' 'Si' 'Si' 'Co' 'Co' 'Co' 'Co']
-8.880351
-0.740029
925
-15.173742
-15.173742
-14.924403
-15.172442
agm003843714
-15.476927
3
['Co' 'Sc' 'Zn']
-0.761767
-0.253922
926
-455.58533
-455.58536
-453.98724
-458.29077
mp-557904
-461.413178
96
['Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-114.156756
-1.189133
927
-19.491198
-19.4912
-19.1971
-19.534418
agm002740706
-19.728212
4
['Sr' 'Si' 'Co' 'Co']
1.596574
0.399143
928
-214.35645
-214.35646
-210.9639
-214.66963
mp-1192370
-214.818426
30
['Na' 'Na' 'Na' 'Na' 'Na' 'Pr' 'Pr' 'Pr' 'Pr' 'Si' 'Si' 'Si' 'Si' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F']
-86.048023
-2.868267
929
-214.87737
-214.87737
-210.76703
-215.11731
oqmd-9717021
-215.396
30
['F' 'Na' 'Na' 'Na' 'Na' 'Na' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'Si' 'Si' 'Si' 'Si' 'Sm' 'Sm' 'Sm' 'Sm']
-86.881401
-2.896047
930
-669.0244
-669.0245
-655.95496
-669.83655
mp-677015
-671.009164
84
['Na' 'Na' 'Na' 'Sm' 'Sm' 'Sm' 'Sm' 'Sm' 'Sm' 'Sm' 'Sm' 'Sm' 'Sm' 'Sm' 'Sm' 'Sm' 'Sm' 'Sm' 'Sm' 'Sm' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F']
-269.928617
-3.213436
931
-100.89937
-100.89937
-99.84733
-101.115
agm003222160
-101.465754
18
['Rb' 'Rb' 'Ni' 'Ni' 'W' 'W' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F']
-20.704711
-1.150262
932
-176.58401
-176.58403
-173.14671
-176.58006
mp-1042559
-177.45116
26
['Sr' 'Sr' 'Sr' 'Sr' 'Y' 'Y' 'Ga' 'Ga' 'Fe' 'Fe' 'Fe' 'Fe' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-48.427765
-1.862606
933
-176.1851
-176.1851
-168.89249
-175.56848
mp-752522
-175.86225
27
['Li' 'Li' 'Fe' 'Fe' 'P' 'P' 'P' 'P' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-43.93757
-1.627317
934
-217.87534
-217.87534
-212.23164
-218.3937
mp-778046
-218.53588
36
['Li' 'Li' 'Fe' 'Fe' 'P' 'P' 'P' 'P' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-52.924069
-1.470113
935
-58.768555
-58.768555
-58.79785
-58.82513
oqmd-6148627
-58.7573
12
['Cu' 'Cu' 'Rb' 'Rb' 'Se' 'Se' 'Se' 'Se' 'Te' 'Te' 'Zr' 'Zr']
-11.188722
-0.932394
936
-311.3479
-311.34787
-303.19446
-311.45847
mp-850255
-311.588641
52
['Li' 'Li' 'Fe' 'Fe' 'P' 'P' 'P' 'P' 'P' 'P' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-75.11654
-1.444549
937
-257.92328
-257.92328
-249.62724
-257.7872
mp-696483
-258.118826
40
['Fe' 'Fe' 'P' 'P' 'P' 'P' 'P' 'P' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'N' 'N' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-58.913144
-1.472829
938
-535.53564
-535.53564
-520.5479
-537.54767
mp-1182816
-538.058863
100
['Fe' 'Fe' 'Fe' 'Fe' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'N' 'N' 'N' 'N' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-83.79376
-0.837938
939
-54.452656
-54.45265
-54.41604
-54.325027
oqmd-4939743
-54.6669
12
['Cu' 'Cu' 'S' 'S' 'Tc' 'Tc' 'Te' 'Te' 'Te' 'Te' 'Tl' 'Tl']
-0.178106
-0.014842
940
-1,225.7756
-1,225.7756
-1,188.6023
-1,224.0978
mp-707911
-1,225.183753
200
['Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-311.065266
-1.555326
941
-148.11732
-148.11732
-141.87181
-147.96608
agm005276036
-146.648937
26
['Na' 'Fe' 'Fe' 'Fe' 'H' 'H' 'H' 'H' 'H' 'H' 'S' 'S' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-21.85679
-0.840646
942
-193.44531
-193.44533
-192.1481
-194.96469
agm003245118
-194.897786
36
['H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'Au' 'Au' 'C' 'C' 'C' 'C' 'S' 'S' 'S' 'S' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'Cl' 'Cl']
-10.126757
-0.281299
943
-7.934468
-7.934468
-7.978583
-8.006768
agm006183177
-8.573352
5
['Ag' 'Ag' 'Ag' 'Ag' 'Cd']
3.746759
0.749352
944
-441.30853
-441.30853
-432.83817
-441.16385
agm005278689
-442.795985
66
['K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'Mg' 'Mg' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-127.461288
-1.931232
945
-8.983995
-8.983995
-9.014109
-9.06056
agm002761288
-9.152607
4
['Ag' 'Cl' 'Cl' 'Cl']
-0.751011
-0.187753
946
-357.43927
-357.43927
-351.13425
-356.79736
mp-1223530
-357.400912
46
['K' 'K' 'Sr' 'Sr' 'Sr' 'Sr' 'Nb' 'Nb' 'Nb' 'Nb' 'Nb' 'Nb' 'Nb' 'Nb' 'Fe' 'Fe' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-101.204329
-2.200094
947
-161.92917
-161.92918
-150.67657
-162.30978
mp-765636
-162.678717
28
['Li' 'Li' 'Li' 'Li' 'Mn' 'Mn' 'Fe' 'Fe' 'Fe' 'Ni' 'Ni' 'Ni' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-14.600808
-0.521457
948
-25.49333
-25.493332
-25.751852
-25.679169
agm2000090444
-25.769493
8
['K' 'K' 'Na' 'Na' 'Cl' 'Cl' 'Cl' 'Cl']
-13.471558
-1.683945
949
-17.621277
-17.621277
-17.479162
-17.564724
agm002322223
-18.036186
4
['Tl' 'Tl' 'Co' 'Ti']
1.702153
0.425538
950
-7.670501
-7.670501
-7.64606
-7.684979
agm004025057
-7.820717
4
['Ag' 'Cl' 'Cl' 'Cl']
0.58088
0.14522
951
-73.85639
-73.856384
-73.892204
-74.09558
agm005916766
-74.433723
14
['Dy' 'Dy' 'Dy' 'Dy' 'Dy' 'Dy' 'C' 'C' 'Br' 'Br' 'Br' 'Br' 'Br' 'Br']
-18.298794
-1.307057
952
-714.54034
-714.54034
-685.3789
-713.769
mp-775329
-715.566432
100
['Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Li' 'Li' 'Li' 'Li' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-209.193686
-2.091937
953
-31.420906
-31.420906
-30.965958
-30.984547
agm002805356
-31.507091
8
['C' 'C' 'Ga' 'Ga' 'Ga' 'Ga' 'Br' 'Br']
2.432025
0.304003
954
-160.4769
-160.4769
-153.04065
-160.5646
mp-774281
-161.377834
28
['Li' 'Li' 'Li' 'Li' 'Fe' 'Fe' 'Fe' 'Ni' 'Ni' 'Sn' 'Sn' 'Sn' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-25.39592
-0.906997
955
-172.2802
-172.28018
-163.7881
-172.47087
mp-771917
-172.687649
28
['Li' 'Li' 'Li' 'Li' 'Fe' 'Fe' 'Fe' 'Ni' 'Ni' 'Ni' 'W' 'W' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-17.020245
-0.607866
956
-78.580925
-78.58092
-77.154434
-78.6521
agm003023978
-79.554962
10
['V' 'V' 'Co' 'Co' 'Co' 'Co' 'Ti' 'Ti' 'Ti' 'Ti']
-1.294584
-0.129458
957
-280.77576
-280.77576
-278.9457
-282.22302
agm005262674
-281.640348
44
['Li' 'Li' 'Li' 'Li' 'V' 'V' 'Fe' 'Fe' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-56.700314
-1.288644
958
-554.0755
-554.07544
-540.01685
-551.5797
mp-759723
-549.617667
70
['Li' 'Li' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Fe' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-174.571282
-2.493875
959
-181.3804
-181.3804
-176.69664
-181.96709
agm005254095
-182.395733
28
['Li' 'Li' 'Li' 'Li' 'V' 'V' 'V' 'Fe' 'Fe' 'Sb' 'Sb' 'Sb' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-38.732496
-1.383303
960
-119.68462
-119.68463
-114.034164
-119.59729
agm003225497
-119.79063
20
['Li' 'Li' 'Li' 'Li' 'Fe' 'Fe' 'Te' 'W' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-19.590105
-0.979505
961
-53.23002
-53.230022
-53.738064
-53.78679
agm003230453
-54.608558
24
['As' 'As' 'As' 'As' 'As' 'As' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K']
-6.702114
-0.279255
962
-6.871858
-6.871858
-7.015121
-7.10239
agm1000013761
-7.177836
2
['As' 'Lu']
1.999289
0.999644
963
-13.988526
-13.988527
-14.147206
-13.445581
agm2000041651
-13.927176
4
['As' 'As' 'Lu' 'Lu']
4.427073
1.106768
964
-6.644625
-6.644625
-6.571337
-6.648042
agm004400079
-6.669031
2
['As' 'Mg']
-0.411291
-0.205646
965
-550.26886
-550.26886
-533.7184
-550.04565
agm005288351
-551.918693
79
['Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Mn' 'Mn' 'Mn' 'Mn' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-135.204075
-1.711444
966
-250.45866
-250.45868
-241.43144
-250.22014
mp-756802
-250.797508
36
['Mn' 'Mn' 'Mn' 'Fe' 'Ni' 'Ni' 'P' 'P' 'P' 'P' 'P' 'P' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-51.800592
-1.438905
967
-22.850334
-22.850334
-22.821661
-22.813736
agm005452207
-22.870234
6
['Mg' 'As' 'As' 'As' 'As' 'As']
2.001123
0.33352
968
-24.127764
-24.127766
-23.983913
-24.080908
agm001227556
-24.335464
4
['Au' 'Tc' 'Er' 'Er']
-1.563085
-0.390771
969
-21.305862
-21.305862
-21.062729
-21.167593
agm002568715
-21.510077
5
['P' 'Bi' 'Bi' 'Bi' 'Tc']
5.908665
1.181733
970
-15.551605
-15.551607
-15.814352
-15.834284
agm002605703
-16.151369
5
['Pb' 'Bi' 'Sn' 'Sn' 'Sn']
3.462392
0.692478
971
-236.59634
-236.59634
-229.18529
-236.60123
mp-849278
-237.198787
36
['Fe' 'Ni' 'Ni' 'Ni' 'Sn' 'Sn' 'P' 'P' 'P' 'P' 'P' 'P' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-51.91293
-1.442026
972
-29.79963
-29.79963
-29.641727
-29.675755
agm001218710
-29.942054
4
['Bi' 'Pd' 'Pd' 'Pu']
-1.343498
-0.335875
973
-550.84705
-550.84705
-540.47534
-550.6612
mp-694868
-550.334063
76
['Rb' 'Rb' 'Rb' 'Rb' 'Rb' 'Rb' 'Rb' 'Rb' 'Zr' 'Zr' 'Zr' 'Zr' 'Fe' 'Fe' 'Fe' 'Fe' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-171.219291
-2.252885
974
-26.14896
-26.148958
-26.050196
-26.055407
oqmd-2323326
-26.2177
4
['Bi' 'Pd' 'Zr' 'Zr']
-0.047618
-0.011905
975
-24.458393
-24.458395
-24.443989
-24.461916
agm002588501
-24.619737
5
['Re' 'Bi' 'Bi' 'Bi' 'Sb']
3.598593
0.719719
976
-30.897697
-30.897697
-30.548048
-31.114725
agm004036703
-31.600075
4
['As' 'Mn' 'Mn' 'Mn']
0.562026
0.140506
977
-533.82324
-533.8232
-516.53265
-533.3221
mp-759759
-535.298198
88
['Na' 'Na' 'Na' 'Na' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-157.953617
-1.794927
978
-583.2305
-583.2305
-573.43243
-583.73846
mp-720505
-586.875516
80
['Sr' 'Sr' 'La' 'La' 'La' 'La' 'La' 'La' 'La' 'La' 'La' 'La' 'La' 'La' 'La' 'La' 'Ti' 'Ti' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-218.265552
-2.728319
979
-16.482141
-16.482141
-16.51602
-16.519491
agm001208812
-16.832001
4
['Pb' 'Au' 'Au' 'Ho']
-1.990848
-0.497712
980
-648.96515
-648.96515
-637.4219
-649.45355
mp-2714113
-650.742384
108
['Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Mg' 'Mg' 'Mg' 'Mg' 'Mg' 'Mg' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-183.60082
-1.700008
981
-693.5792
-693.5791
-679.801
-693.17084
mp-2713917
-694.992186
111
['Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-203.730961
-1.835414
982
-1,822.4875
-1,822.4875
-1,787.1111
-1,824.48
mp-2713458
-1,824.945264
234
['Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ga' 'Ga' 'Ga' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-617.507732
-2.638922
983
-703.7461
-703.7461
-694.61005
-704.3292
mp-2713498
-705.354046
102
['Nb' 'Nb' 'Nb' 'Nb' 'Nb' 'Nb' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Ga' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-186.918116
-1.832531
984
-68.32623
-68.32623
-68.335434
-68.60674
agm002021668
-69.523187
10
['Pb' 'Pb' 'Si' 'Si' 'Os' 'Os' 'Ga' 'Ga' 'Ta' 'Ta']
0.972599
0.09726
985
-643.21484
-643.21484
-624.9623
-643.50476
mp-560412
-643.348669
88
['Gd' 'Gd' 'Gd' 'Gd' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'N' 'N' 'N' 'N' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-174.769465
-1.986017
986
-21.396044
-21.396048
-21.196518
-21.331123
agm003838858
-21.400661
4
['Pb' 'Mo' 'Al' 'Al']
0.643215
0.160804
987
-21.763212
-21.763214
-21.492857
-21.76207
agm003802358
-21.668195
4
['Mo' 'Al' 'Al' 'Se']
0.156845
0.039211
988
-27.866085
-27.866087
-27.826416
-27.987953
agm002080236
-28.251746
5
['Mn' 'Nb' 'Ge' 'H' 'I']
0.681332
0.136266
989
-563.16174
-563.1617
-553.10236
-563.5956
mp-722266
-563.317883
120
['Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Ge' 'Ge' 'Ge' 'Ge' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-116.250093
-0.968751
990
-858.3557
-858.3557
-848.7871
-858.8985
mp-2713579
-861.224427
120
['Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Hf' 'Hf' 'Hf' 'Hf' 'Hf' 'Hf' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-266.075149
-2.217293
991
-262.2342
-262.23422
-263.0175
-263.09564
mp-1224162
-266.552509
75
['K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'Rb' 'Rb' 'Hg' 'Hg' 'Hg' 'Hg' 'Hg' 'Hg' 'Hg' 'Hg' 'Hg' 'Hg' 'Hg' 'Hg' 'Hg' 'Hg' 'Hg' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S']
-39.710961
-0.529479
992
-25.021635
-25.021633
-24.580576
-24.902952
agm003840185
-24.860527
4
['Y' 'Mo' 'Al' 'Al']
-0.058525
-0.014631
993
-17.936674
-17.936674
-17.436981
-17.83591
agm005112736
-17.836966
4
['H' 'Pd' 'Pd' 'S']
0.072395
0.018099
994
-40.71425
-40.71425
-39.592003
-40.58449
agm002982516
-40.740563
10
['Sb' 'Sb' 'Pd' 'Pd' 'Pd' 'Pd' 'H' 'H' 'H' 'H']
1.868729
0.186873
995
-54.144447
-54.144447
-53.041058
-54.042454
agm003078960
-54.018192
10
['Sc' 'Sc' 'H' 'H' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd']
-3.40346
-0.340346
996
-15.747187
-15.747185
-15.540741
-15.684975
agm003612703
-15.764864
4
['Sr' 'H' 'H' 'Pd']
-2.096946
-0.524236
997
-26.165905
-26.165905
-26.177818
-26.380741
agm002723864
-26.6794
4
['Ni' 'Zr' 'P' 'P']
-1.530185
-0.382546
998
-894.4162
-894.4162
-876.47174
-895.0495
mp-2713392
-895.42456
117
['Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Ta' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Si' 'Ge' 'Ge' 'Ge' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-300.164175
-2.565506
999
-739.83496
-739.8351
-727.675
-739.35114
mp-2713497
-738.061275
102
['Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'Ge' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'S' 'S' 'S' 'S' 'S' 'S' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-212.35832
-2.081944