save RM24 in json
Browse files- .gitattributes +1 -70
- .gitignore +1 -0
- combustion/alignn/H256O128.extxyz +0 -0
- combustion/escn/run-H256O128.extxyz +0 -3
- combustion/mace-mp/H256O128.extxyz +0 -3
- combustion/matgl/H256O128.extxyz +0 -0
- combustion/sevennet/H256O128.extxyz +0 -3
- combustion/test/H256O128.extxyz +0 -386
- combustion/chgnet/H256O128.extxyz → stability/RM24.db +2 -2
- combustion/escn/H256O128.extxyz → stability/RM24.json.gz +2 -2
.gitattributes
CHANGED
@@ -55,80 +55,11 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
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*.webp filter=lfs diff=lfs merge=lfs -text
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stability/random-mixture.db filter=lfs diff=lfs merge=lfs -text
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combustion/mace-mp/MACE-MP(M)_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/mace-mp/H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/sevennet/H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/sevennet/SevenNet_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/orb/ORBv2_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/orb/ORB_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/equiformer/EquiformerV2(OC20)_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/chgnet/CHGNet_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/chgnet/H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/escn/eSCN(OC20)_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/escn/run-H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/escn/H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/matgl/M3GNet_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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mace-mp/MACE-MP(M)_random_Eu16Fe4Ga32Ir12Te64_npt.traj filter=lfs diff=lfs merge=lfs -text
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mace-mp/MACE-MP(M)_random_Mn72Na432O42P6Se288Sm18_npt.traj filter=lfs diff=lfs merge=lfs -text
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mace-mp/MACE-MP(M)_random_Bi24Co18Er72Ge30Mn12Tb12_npt.traj filter=lfs diff=lfs merge=lfs -text
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sevennet/SevenNet_random_Al448F156Fe78Ni112Y112_npt.traj filter=lfs diff=lfs merge=lfs -text
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sevennet/SevenNet_random_Ca36Ga54Sn18Tm30Zn18_npt.traj filter=lfs diff=lfs merge=lfs -text
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sevennet/SevenNet_random_As788Cs184Mo180Na92_npt.traj filter=lfs diff=lfs merge=lfs -text
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sevennet/SevenNet_random_Al176Gd116Mg58Ni204Tb88_npt.traj filter=lfs diff=lfs merge=lfs -text
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sevennet/SevenNet_random_Rh4Se31Sn44Te220Tl88U12_npt.traj filter=lfs diff=lfs merge=lfs -text
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sevennet/SevenNet_random_C20Co400Gd80Th10_npt.traj filter=lfs diff=lfs merge=lfs -text
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sevennet/SevenNet_random_Cs18Er48I54Nb12Pt64_npt.traj filter=lfs diff=lfs merge=lfs -text
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sevennet/SevenNet_random_Eu16Fe4Ga32Ir12Te64_npt.traj filter=lfs diff=lfs merge=lfs -text
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sevennet/SevenNet_random_C352Er176Fe14W148_npt.traj filter=lfs diff=lfs merge=lfs -text
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sevennet/SevenNet_random_Bi80Li48Ni80S10Sb32Y16_npt.traj filter=lfs diff=lfs merge=lfs -text
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sevennet/SevenNet_random_Bi24Co18Er72Ge30Mn12Tb12_npt.traj filter=lfs diff=lfs merge=lfs -text
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sevennet/SevenNet_random_Mn72Na432O42P6Se288Sm18_npt.traj filter=lfs diff=lfs merge=lfs -text
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orb/ORBv2_random_Eu16Fe4Ga32Ir12Te64_npt.traj filter=lfs diff=lfs merge=lfs -text
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orb/ORBv2_random_Bi24Co18Er72Ge30Mn12Tb12_npt.traj filter=lfs diff=lfs merge=lfs -text
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orb/ORBv2_random_Bi80Li48Ni80S10Sb32Y16_npt.traj filter=lfs diff=lfs merge=lfs -text
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orb/ORBv2_random_Al448F156Fe78Ni112Y112_npt.traj filter=lfs diff=lfs merge=lfs -text
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orb/ORBv2_random_Cs18Er48I54Nb12Pt64_npt.traj filter=lfs diff=lfs merge=lfs -text
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orb/ORBv2_random_As788Cs184Mo180Na92_npt.traj filter=lfs diff=lfs merge=lfs -text
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orb/ORBv2_random_C352Er176Fe14W148_npt.traj filter=lfs diff=lfs merge=lfs -text
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orb/ORBv2_random_Rh4Se31Sn44Te220Tl88U12_npt.traj filter=lfs diff=lfs merge=lfs -text
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orb/ORBv2_random_C20Co400Gd80Th10_npt.traj filter=lfs diff=lfs merge=lfs -text
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orb/ORBv2_random_Al176Gd116Mg58Ni204Tb88_npt.traj filter=lfs diff=lfs merge=lfs -text
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orb/ORBv2_random_B296Se266Ti220Tl76_npt.traj filter=lfs diff=lfs merge=lfs -text
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orb/ORBv2_random_Ca36Ga54Sn18Tm30Zn18_npt.traj filter=lfs diff=lfs merge=lfs -text
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mattersim/MatterSim_random_Al176Gd116Mg58Ni204Tb88_npt.traj filter=lfs diff=lfs merge=lfs -text
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mattersim/MatterSim_random_Ca36Ga54Sn18Tm30Zn18_npt.traj filter=lfs diff=lfs merge=lfs -text
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mattersim/MatterSim_random_Eu16Fe4Ga32Ir12Te64_npt.traj filter=lfs diff=lfs merge=lfs -text
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mattersim/MatterSim_random_Mn72Na432O42P6Se288Sm18_npt.traj filter=lfs diff=lfs merge=lfs -text
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mattersim/MatterSim_random_Bi24Co18Er72Ge30Mn12Tb12_npt.traj filter=lfs diff=lfs merge=lfs -text
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mattersim/MatterSim_random_Bi80Li48Ni80S10Sb32Y16_npt.traj filter=lfs diff=lfs merge=lfs -text
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mattersim/MatterSim_random_Al448F156Fe78Ni112Y112_npt.traj filter=lfs diff=lfs merge=lfs -text
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mattersim/MatterSim_random_Cs18Er48I54Nb12Pt64_npt.traj filter=lfs diff=lfs merge=lfs -text
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mattersim/MatterSim_random_B296Se266Ti220Tl76_npt.traj filter=lfs diff=lfs merge=lfs -text
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mattersim/MatterSim_random_C20Co400Gd80Th10_npt.traj filter=lfs diff=lfs merge=lfs -text
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mattersim/MatterSim_random_As788Cs184Mo180Na92_npt.traj filter=lfs diff=lfs merge=lfs -text
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mattersim/MatterSim_random_Rh4Se31Sn44Te220Tl88U12_npt.traj filter=lfs diff=lfs merge=lfs -text
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chgnet/CHGNet_random_Ca36Ga54Sn18Tm30Zn18_npt.traj filter=lfs diff=lfs merge=lfs -text
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chgnet/CHGNet_random_Al176Gd116Mg58Ni204Tb88_npt.traj filter=lfs diff=lfs merge=lfs -text
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chgnet/CHGNet_random_B296Se266Ti220Tl76_npt.traj filter=lfs diff=lfs merge=lfs -text
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chgnet/CHGNet_random_C20Co400Gd80Th10_npt.traj filter=lfs diff=lfs merge=lfs -text
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chgnet/CHGNet_random_Rh4Se31Sn44Te220Tl88U12_npt.traj filter=lfs diff=lfs merge=lfs -text
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chgnet/CHGNet_random_Al448F156Fe78Ni112Y112_npt.traj filter=lfs diff=lfs merge=lfs -text
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pscratch/sd/c/cyrusyc/mlip-arena/examples/stability filter=lfs diff=lfs merge=lfs -text
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*.webp filter=lfs diff=lfs merge=lfs -text
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stability/random-mixture.db filter=lfs diff=lfs merge=lfs -text
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combustion/mace-mp/MACE-MP(M)_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/sevennet/SevenNet_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/orb/ORBv2_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/orb/ORB_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/equiformer/EquiformerV2(OC20)_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/chgnet/CHGNet_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/escn/eSCN(OC20)_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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combustion/matgl/M3GNet_H256O128.extxyz filter=lfs diff=lfs merge=lfs -text
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stability/RM24.db filter=lfs diff=lfs merge=lfs -text
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.gitignore
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**/.*/
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combustion/alignn/H256O128.extxyz
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combustion/escn/run-H256O128.extxyz
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version https://git-lfs.github.com/spec/v1
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oid sha256:ecbdc0a3d8122a9c1f30c34e78765c618c6c84dd98a60a6a93f72e57e73472ea
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size 18634287
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version https://git-lfs.github.com/spec/v1
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combustion/sevennet/H256O128.extxyz
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combustion/test/H256O128.extxyz
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Lattice="30.0 0.0 0.0 0.0 30.0 0.0 0.0 0.0 30.0" Properties=species:S:1:pos:R:3 Built=T with=T Packmol=T pbc="T T T"
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362 |
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|
363 |
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O 1.32756400 12.17561700 20.06774300
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364 |
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O 2.10349400 12.35107600 21.02667600
|
365 |
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O 1.18281700 3.80763100 4.94719100
|
366 |
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O 1.01891800 2.82667000 5.69769700
|
367 |
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O 12.59019600 17.94027500 24.45964400
|
368 |
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O 12.50958200 18.08831700 23.22514300
|
369 |
-
O 9.77496800 21.51131100 7.49102600
|
370 |
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O 10.45743600 20.53412700 7.85400700
|
371 |
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O 1.69369700 6.90651400 3.72886700
|
372 |
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O 1.19082500 6.11102100 4.54539400
|
373 |
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O 26.88872500 10.54198400 11.12473400
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374 |
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O 27.32702000 10.28414700 9.98727000
|
375 |
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O 1.72700700 26.73221500 14.58446600
|
376 |
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O 2.56724200 25.91897900 15.01465200
|
377 |
-
O 10.15694600 18.69534200 19.15618300
|
378 |
-
O 9.99999700 19.29683100 20.23599100
|
379 |
-
O 1.99644200 10.71276900 12.34430700
|
380 |
-
O 2.09478800 10.26022600 13.50100000
|
381 |
-
O 2.90497500 4.19153100 2.82131400
|
382 |
-
O 1.84632400 4.84452600 2.74877200
|
383 |
-
O 5.05591600 16.45745000 12.34283200
|
384 |
-
O 6.13192000 15.97608900 11.93920500
|
385 |
-
O 6.49320100 16.95653500 24.96253500
|
386 |
-
O 6.59211000 17.17298400 26.18555300
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|
combustion/chgnet/H256O128.extxyz → stability/RM24.db
RENAMED
@@ -1,3 +1,3 @@
|
|
1 |
version https://git-lfs.github.com/spec/v1
|
2 |
-
oid sha256:
|
3 |
-
size
|
|
|
1 |
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:4fe93aebfea70030f9c5f09dd3eba04764b4bc4fd0ee7da1ebeb420540819dcb
|
3 |
+
size 28184576
|
combustion/escn/H256O128.extxyz → stability/RM24.json.gz
RENAMED
@@ -1,3 +1,3 @@
|
|
1 |
version https://git-lfs.github.com/spec/v1
|
2 |
-
oid sha256:
|
3 |
-
size
|
|
|
1 |
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:4d8bb548e622cdba5b7f2a2fac7e2d427d4c7df838063fa832c0b398fd43a0b6
|
3 |
+
size 14756337
|