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] | false | null | null | null | null | null | 0 | 0 | null | CO_7cf4706f65cef3762eb162527 | 7cf4706f65cef3762eb16252761f916447015b7dd3822512919368fca3121f05fd684b844148c20a7ace5c62e2fe82cf0f565a07d0f618f65270a21512605b47 | 7cf4706f65cef3762eb16252761f916447015b7dd3822512919368fca3121f05fd684b844148c20a7ace5c62e2fe82cf0f565a07d0f618f65270a21512605b47 | [
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[
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0
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[
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0,
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]
] | [
[
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[
0,
1.74106614,
1.74106614
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[
1.74106614,
0,
1.74106614
],
[
1.74106614,
1.74106614,
0
]
] | [
true,
true,
true
] | Co4 | Co | A | [
"Co"
] | [
1
] | [
27,
27,
27,
27
] | 4 | 1 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__Co__8"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co, |
PO_6e06363ef2f48ae334512fd10 | 6e06363ef2f48ae334512fd1070d148cea18e205220e7652712a033285cd35df7df46e6ad678cd1c353aba781feae9db68a1aba8c4991ec4fc5a8cdf1463cea4 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.841447 | [
[
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],
[
0,
0,
0
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[
0,
0,
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[
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] | [
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0,
0
],
[
0,
0.07583203872949687,
0
],
[
0,
0,
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]
] | false | null | null | null | null | null | 0 | 0 | null | CO_d551fba56e902f944ce5a2ba4 | d551fba56e902f944ce5a2ba4408560848c36c4c5ef80bda39207dc66d1ec87cd8adcf0391c63f8f3bbcdf95a328281266c0ad4ac39646306ddcf5c617f600a0 | 5e423ac63e6b00b5bb359744400e7b7b1ade7ae1ded00ccd5028276eba3670ebe3746ea4f246ea8ca8a0ffe525f001082fde82186377b9e5e32bd23bdb7a3876 | [
[
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[
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[
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] | [
[
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[
1.9295,
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0
],
[
1.9295,
0,
1.847
],
[
0,
1.9295,
1.847
]
] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__0"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_35217bba87a0e0d5683a3543e | 35217bba87a0e0d5683a3543ee5a50e2579a9a683235f4171476d954e2429f48b3f37965e572047f801ab0f430117f41825333691c6e3066aeac8426e3ea17a7 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.622938 | [
[
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],
[
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[
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[
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] | [
[
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],
[
0,
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0
],
[
0,
0,
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]
] | false | null | null | null | null | null | 0 | 0 | null | CO_58ff48f6ddaa71b0f3a18639c | 58ff48f6ddaa71b0f3a18639c691596667189ff4921f1a04bf7980312a4682e39fbf1f00da3ab48d7faafa31ca06a5cfec63b95f68a7583d911cc0936c18a740 | 46055e7fdc76b950b6b20a4702b64e2d447376f5f96c28582cbb419b90f6bafa9dadb8f3445a7832590ec0c82880e1f64f486a1bc355b87912707559b338d5ab | [
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[
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],
[
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]
] | [
[
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],
[
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1.832423305,
0
],
[
1.832423305,
0,
1.78209865
],
[
0,
1.832423305,
1.78209865
]
] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__1"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_52faf7adaeb0de6d790a8bf77 | 52faf7adaeb0de6d790a8bf7707b65d71493c5835acaf3f4653a6e46fe1e1a81c65d607a0f28f5dee47d5b4150110fa71c0352d8e8e15b179d29c7dc65de4c91 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.947292 | [
[
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0,
0
],
[
0,
0,
0
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[
0,
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[
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] | [
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[
0,
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0
],
[
0,
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]
] | false | null | null | null | null | null | 0 | 0 | null | CO_6c3e0f84c1c6b5872d25b4ab8 | 6c3e0f84c1c6b5872d25b4ab8ac308e907efc60e11ebde144c9ae218b039699305022b30684fc8d0e966d403cf08cde06725b20b95b91ef627b0eece6c686414 | 0895d1f0dd819478b733b3acfb655ce3bd568b2bc6f0643a575237425a052c2cf43b4f23ec67d0a854db553f5e5a98051d304263d8c6ddca0390ef8c29da2cf1 | [
[
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[
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[
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]
] | [
[
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[
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1.892872285,
0
],
[
1.892872285,
0,
1.822512265
],
[
0,
1.892872285,
1.822512265
]
] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__2"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_56ab1c001a0ea92d13160e5d4 | 56ab1c001a0ea92d13160e5d447717d2d5b582e1fff56847c5347eab5094b2082257cb1357410a39c42c4a7390a588eb2892907586d9db2ef3dcb8cb2e257ffa | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.947386 | [
[
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],
[
0,
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0
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[
0,
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[
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] | [
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[
0,
0.003874776481821448,
0
],
[
0,
0,
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]
] | false | null | null | null | null | null | 0 | 0 | null | CO_1bc3fc715fc04be1ad7c60f57 | 1bc3fc715fc04be1ad7c60f5765db14aa47a79f249365c97872d353e3332bdf1143aea2a7850e88908d82168660ca21bbb38ecbecc9cb1766a382be3623ad2c6 | 5221ed7024379cb3bc7f6ede20d1cba911f975d546ff71493d4e1ee9273aa1882e40403e128b9f0daf748820d5884f602fbe9ea2da4fd64c0923663c531d3217 | [
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[
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[
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] | [
[
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[
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0
],
[
1.89192273,
0,
1.821877435
],
[
0,
1.89192273,
1.821877435
]
] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__3"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_259521fb4ef48150a87d2ddf8 | 259521fb4ef48150a87d2ddf8b6082b965fcffd5235400ec6c4a69194959e131e5fa267c881e9342beb49dbfea48d8c955986945327d0fc662b6159e5ac6ef56 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.947389 | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
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[
0,
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0
]
] | [
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0,
0
],
[
0,
0.003299097697082062,
0
],
[
0,
0,
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]
] | false | null | null | null | null | null | 0 | 0 | null | CO_d8c089454efa317b2ffe9fcc5 | d8c089454efa317b2ffe9fcc5c1b7955f06a7369485b454725a9059788aa7ec3fdf7f6edfb9ddde22405af323fff74ba32770da309098f2a179e671982e21945 | a5689a35f1654a0f22f23792e2bdf47fb53b3f72fe17733e37ca923c38453a06aaecc62b25708e3c16185a189544a8215dd297531eea8eb2a2d7c3fd758eac13 | [
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[
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[
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]
] | [
[
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[
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0
],
[
1.89175162,
0,
1.821763035
],
[
0,
1.89175162,
1.821763035
]
] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__4"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_8236fab4e23d260524d8fa96a | 8236fab4e23d260524d8fa96ad782bd034aad89194e0ccea40ca5b2a722a196a137cd76d71a06a7023ea555415ad8798eda9f6f30ed6730fe9c2109e956884ee | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.947389 | [
[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
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[
0,
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] | [
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0,
0
],
[
0,
0.0031978471184042887,
0
],
[
0,
0,
-0.010252043436882987
]
] | false | null | null | null | null | null | 0 | 0 | null | CO_ef207ad44e3ee7314114e49dc | ef207ad44e3ee7314114e49dc493fbd484cd39bd6b718da46ecf293ee84a6b776cc5c5b521c64055231eba17ada28f48446ca344b02d1a3f501c68fdb188e1c4 | 972ab22de494abbaf3d3a667818a99fdcd19de96a89e2ecce76e2f4dfeea467069a7ece8818c660de915d405ddc8fe0273ee7eff8ae5506f643ea4e2c977687e | [
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[
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[
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] | [
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[
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0
],
[
1.891814675,
0,
1.821805195
],
[
0,
1.891814675,
1.821805195
]
] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__5"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_b07cd17c9ef313278dfbdd7cb | b07cd17c9ef313278dfbdd7cb611e286a3389dbf6ccfc29abc64ef1dee7b4685ec50219efc5eefcaf312734ea997d33034bbb42ec2ea6bd3a96772c2f967a57f | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.947388 | [
[
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],
[
0,
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[
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[
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] | [
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[
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[
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]
] | false | null | null | null | null | null | 0 | 0 | null | CO_5185aa2364af82eb58edfbfb4 | 5185aa2364af82eb58edfbfb4051b8709b82abec45630587f3a03bb18acce1a7d12c66390d2b20f72f04e56a795b10dbf1d2da8fd205fd7a0eea2e85989a5b81 | c8c59c63b4dd834f8031ff3490b4fdb9343a6f1e6879baf0be9db10936c9c67de7081dc9d4cf16c4d76ce79bc01f7e577c5dfe2bdc056ac4cbf297377f9d0f2b | [
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[
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[
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] | [
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[
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[
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0,
1.821841315
],
[
0,
1.8918687,
1.821841315
]
] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__6"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_6669bff48ff38c9a75b8fb08f | 6669bff48ff38c9a75b8fb08f929e00148acecdd902bb31b0eba21c79baab50827b4f1c2b4e3ba103f768fd6e5224649b2ce9deaa4b31d009f1571b1ec0c5d04 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.947388 | [
[
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0
],
[
0,
0,
0
],
[
0,
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[
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] | [
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[
0,
0.004580949119289509,
0
],
[
0,
0,
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]
] | false | null | null | null | null | null | 0 | 0 | null | CO_220faa5dcbc6831a0df7764ec | 220faa5dcbc6831a0df7764ec1ef3600cf1ead63d6edfeaafbd7a0b9ffcb33e8c658e72b315f8f432397a0908f9628222e7216e97fd8214baee14a68dd648a29 | 55639e823fe883f890d581e8021c7416fad920374efc2b5611acf586b364f607ea926a805e5238b4702fa2cae39f901bc1787415553bedc5384237c9fc09e498 | [
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[
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[
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]
] | [
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[
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[
1.891895715,
0,
1.821859375
],
[
0,
1.891895715,
1.821859375
]
] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
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] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_90fc1dced04331a0f0fecd8b9 | 90fc1dced04331a0f0fecd8b95e58141cc1f2891aec8737a43282273e26ba0f4edd615e926552615b756a81559a94344f8e0d77da7e23eef7d5f49365f68cf4a | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.947388 | [
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] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
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] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_426543d9b2b2a7770d1c4439a | 426543d9b2b2a7770d1c4439a0a47d70ff7921176d67f8aaef6a20abb8738d7ae284e1869b3ac3e2d745b20735c10210e40efbf1956d485c2c5a8b3eaa596ce4 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.947388 | [
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] | false | null | null | null | null | null | 0 | 0 | null | CO_a95ba2bad97b08633735b4f94 | a95ba2bad97b08633735b4f9454b6e980de1192b751af7a40a9f1a43e417698d363edfe0b1c11b17362685360fc4d65931966035f7081ba4d27de95fee283908 | 9f03fd3c4e636459659e249b3b49ef82e6ff86896acc36f0fa6bd0b0a05b3b52c852a85b0e76be95c82f4b195404456e7fa1791978cff2aecd17e6fc23c1abb6 | [
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true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
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PO_67f10d04f18c4061815709da3 | 67f10d04f18c4061815709da339a1f6918ca72ff68e81db67f5f93ae2ecd181725c841b3f6ad1b70e8c000a3912030d7589d929de9cea6712fb603eab9cec2f9 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.947388 | [
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[
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] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
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"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__10"
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PO_a08a70111cceae478fc30a505 | a08a70111cceae478fc30a5058d279ad80ae99063e627a0419654f84a9dc2ee41852233092a4e027c64074c5a2b9d8fd69b603ec9f36469f31dbb05dda4761e0 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.947388 | [
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] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
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] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_0ced2049d2fbbb3223998d9ea | 0ced2049d2fbbb3223998d9ea9a3c60d9303f3700bbdd5525df44339c5c58fce56eaf17abff551dfb2b063ab0840eab44b958f4b8ea0614d9d58fe36209083e0 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.950008 | [
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] | [
true,
true,
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] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__12"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_ca51ebc6e98f11c796bf24673 | ca51ebc6e98f11c796bf24673249aee1290d3339b5aeba61d133c867db5279d655b951e9694b6b16a20bfa9b190d501232fc065cb1aac09279c47bbc3e9d7601 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.950545 | [
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true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
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] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
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] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_a4f6a581641814c0dbb19fd3a | a4f6a581641814c0dbb19fd3a5aa32aec6156a616ab02976257bb9654dab8f4a6e26496999e94db7d7f0f85009a8a4a88f423f97e6648f76fbf1f0b5b236c52c | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.950545 | [
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[
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] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
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] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
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[
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] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
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] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
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[
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0,
1.83781373
],
[
0,
1.88472161,
1.83781373
]
] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__16"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_4ec184b9813d4ccbef4cad8c4 | 4ec184b9813d4ccbef4cad8c446fb70d39a86d105577f75165e14405346127d2a6071232d4e4f953b78ddf86054b7d22b72950d2577526a6710d3b22b67ac5bf | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.950544 | [
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[
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[
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[
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] | false | null | null | null | null | null | 0 | 0 | null | CO_19f52b69c71f7dcca03e8752d | 19f52b69c71f7dcca03e8752d6975185ca3e29f0e4c8128c33ab67578992fa65830d019173796648326319f3cef1830be1296cc65fd3d5b620edbaf284fa2a0b | 79ffd2d97a3bb44172e288952a75a6b0e748c84006df45b8a0f5d615aa4b0d9a45a47781cf096aaefe97d20f3a2a15868bcd2ddec644d922a31e4f10fc344603 | [
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[
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],
[
0,
1.884606555,
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]
] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__17"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_bbbbb75142de168051281b4ed | bbbbb75142de168051281b4edecb2cc8a78f9633f6925498809fc05210119a529518e98833f90e0873e38de0be7c9027f06041b64db82f51c5084bc432ea28a9 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.950544 | [
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[
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[
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[
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] | false | null | null | null | null | null | 0 | 0 | null | CO_77df0002d385c45c9fba30d2a | 77df0002d385c45c9fba30d2adeab565fa3e7441e322a663d3effc868d4ec5a78d1294c2e8b0330a6b61751793e215381f622ff9aea3d49bbedfdf7095e96873 | 3b869193592c2a36452af72dc2ffe5ff0613e34d30106cefd977523802b8e99d5a756d460c52e869ee277d8b5fd43ecacaf8ee5ad34dd15e53fd975a3ed90100 | [
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[
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[
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0,
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[
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] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__18"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_1188be0626b29bde4820c5b65 | 1188be0626b29bde4820c5b6551bbe6d5abb3f854a25e17042b83edc9557e8456d40cea6a6c470fad6b5b818e6f341565353bd5d629e239aa4c6a0abb8320263 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.950524 | [
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[
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[
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] | false | null | null | null | null | null | 0 | 0 | null | CO_4d66484a0d4264372d2cd0eaf | 4d66484a0d4264372d2cd0eaf098a678586da266feab2d7695675ad8581af889f13a911a02a83bb192c79b804798a28bd3b048c5bcfdf7a8e393f3d016dfaa74 | fdc2e0b3d54423f46bea9eaa9c8a22bb104b451bcb89740a3a12a710d787518cd8590bc1f11144fe573328385752b49ab3e9fd62c44832e82ed1d65f13beb781 | [
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[
0,
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] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__19"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_ac7d0f6e78249d070fce573f6 | ac7d0f6e78249d070fce573f6ee5875ad578b6aa8191a2515e0dd35b77b26d6b86859b00245fe839b1e6e5db6e20b395a198ba4e97cc0b4be75d2c4152a4a46b | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.95054 | [
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[
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] | [
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[
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] | false | null | null | null | null | null | 0 | 0 | null | CO_d8ee7b6a4c598b03e13b2348b | d8ee7b6a4c598b03e13b2348bf6399177f19ad4b1bb7101357789767241a0cf4f52dfc078c4a40eddcdd5b3b9f983c44fdcbd6762b87261a19a7e00eed120dbd | 067b23aed0876e38f20d734324939428104bdea372599d9538d7d0d74f0be1908c4b53a3158c805e76be0308b5b636ca512d072cce019973263f3e90ed07d78b | [
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[
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] | [
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[
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0,
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[
0,
1.88479642,
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]
] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__20"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_b00171355b03db2647ad79f25 | b00171355b03db2647ad79f25a9a6066a175006d1f41bdd9752c7816874af3237da7bdc0206925f39dde0d97b731762005245ab727ea17fc6cc52a8487eed31e | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.950542 | [
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[
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[
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[
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[
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] | false | null | null | null | null | null | 0 | 0 | null | CO_e10cc6594bd91753a382eb660 | e10cc6594bd91753a382eb660f2c327bc47cca3d0f7acbba743d22c5fb7a87d14e088bb7309085e499eaed1e471c1d32302f93a71873c6eb25605a8bcc267c02 | aa5667c3529313e9bb4c219c59c2079e6b75d1acdb871ef1f8898fd9dc0a7ffff7033e714dae72be72f534209a0f7b3f202d701657aefea9fd305e3af212866d | [
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[
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[
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] | [
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[
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[
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0,
1.83818131
],
[
0,
1.88472585,
1.83818131
]
] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__21"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_f52d60b2ffce0f0eb33928f36 | f52d60b2ffce0f0eb33928f3616a2755af2852911f6900058656fabf1d143d9710f203dc9fef7aeec8b7ba847ca9ad1841976469c581b9274a9f7382da9cb320 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.950543 | [
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[
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[
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[
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] | [
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[
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[
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] | false | null | null | null | null | null | 0 | 0 | null | CO_17a51f627d21ca91ed722d7dd | 17a51f627d21ca91ed722d7dd66b9e8935243a05ea9ca8a7eb3a6d3c39f669adee7110be1f126b8b7053690e05ca245b0eda011f17f9e68fa79f20b8228e76a7 | 6060b2637a91d2922aab8a8344f6f976c14c4fea044a0afc77bed4f89295344599e714e4a5c8ba8ca9acb7ad7f7ec411b597a8b43afa07eb0972fb925d13d81b | [
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[
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[
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[
0,
1.884625565,
1.83810461
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] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_L10__22"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_3b129c662db04a7b3d25c78c8 | 3b129c662db04a7b3d25c78c83bac2530b83e01e2801d7771e3b756fa0b76fbacd19f03fe46c863b03d85cade349fb6c695841a08a3a2bd918dd66f86afc8f8f | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.916795 | [
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[
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[
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[
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] | [
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[
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[
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] | false | null | null | null | null | null | 0 | 0 | null | CO_c132d1bc6f50410c331542b06 | c132d1bc6f50410c331542b062d7208665d7758680e434343cae808113f91af3ed139d3ede91076f628ba69df3fd62655637bc13125dcae414ff95ed2edd8ad9 | e5629c0c29d7bc5e7a8168d36546b461d4466004244f803162744d69e950dea45da4496e3931f343da702331bfc6db5ebe792a3ac4aedbb1476db62992b41563 | [
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[
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[
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[
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[
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] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_fcc__0"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_2a11887bb283201fc80074f6a | 2a11887bb283201fc80074f6a8666a855fb5849a1aa3ab770efc5eba8284ea4cd28eac2a570c288a33847131c04870f4c54cc7517b2e96c868a558e1199b6fd6 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.870642 | [
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[
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[
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[
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[
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[
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] | false | null | null | null | null | null | 0 | 0 | null | CO_327ffb85ba6cacc56f7723558 | 327ffb85ba6cacc56f77235583abcb4e8d3a28a61f1521505bf566a97ae86031dcef13553ff0db71158ea81a815713757d0b5f3edf0d41475b5d15c9485e3798 | 9d77870f4fdaf6e1f67ee0f2baa0723fa813a699ee88db96b3d263159f3ac29393365d637ef60473dc718459e714643e08b5b480f131d9ec082d5fa32eeae686 | [
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[
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[
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[
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[
0,
1.84547441,
1.84547441
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] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_fcc__1"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_91916b37c6fbbd2fb2128c4f3 | 91916b37c6fbbd2fb2128c4f3e8e3aafbf845eadbec262754c7d1bc8db306a830b7642b85adc1bacfaa4546a34d9407a5ad62eed2ff92e23b3816e9e9510a586 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -28.936601 | [
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[
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] | false | null | null | null | null | null | 0 | 0 | null | CO_376a2e3b1b18206a58c03d337 | 376a2e3b1b18206a58c03d3379b32e41f1124161cf9b6935f085c21aecf0f9c559105b30d0ba8f1d0a83e029c5de9e7cf1708aa0033705b24e3664ca88e1cb5a | e88d13df504aa789cc7bef35903b43b0adcfdecc5719bcc7412093ebcaaa08203050455dce6c151b3ecd9c20f99720b7886b2f2e067e3ae39e31aeeba57176a5 | [
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[
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] | [
true,
true,
true
] | Co2Pt2 | CoPt | AB | [
"Co",
"Pt"
] | [
0.5,
0.5
] | [
27,
27,
78,
78
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__CoPt_fcc__2"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Co,Pt, |
PO_37b2e330f86daaf84d291298c | 37b2e330f86daaf84d291298c5ddd1259cdd989b739a12b8a3e405983fa1466224dcc6594993a69e448ea48ff4880240fd56d376838cc2149cfc1209efbb139f | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -27.443572 | [
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],
[
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] | [
true,
true,
true
] | Pt4 | Pt | A | [
"Pt"
] | [
1
] | [
78,
78,
78,
78
] | 4 | 1 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__Pt__0"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Pt, |
PO_e7b0eba4062a8bc377e690c76 | e7b0eba4062a8bc377e690c766459d3b0bace75d7c0fb69647bdffc96bbb24ba490a4fafad0c57ceaedc40a224c8dfa36f903a57af740e88adfd9e629e4f6cf5 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -27.378577 | [
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[
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] | false | null | null | null | null | null | 0 | 0 | null | CO_07493fc0ed3a9b80388e3a79c | 07493fc0ed3a9b80388e3a79c6e1af0b094e4a21649f18361a7485c58de7eda551d3cedff42c70bf490ec1ff09aa1a1276e09165cbba755fff7abcc538884586 | 07493fc0ed3a9b80388e3a79c6e1af0b094e4a21649f18361a7485c58de7eda551d3cedff42c70bf490ec1ff09aa1a1276e09165cbba755fff7abcc538884586 | [
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[
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[
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] | [
true,
true,
true
] | Pt4 | Pt | A | [
"Pt"
] | [
1
] | [
78,
78,
78,
78
] | 4 | 1 | 3 | [
1,
1,
1
] | [
"CoPt_Dry_Reforming_Methane__bulk__bulk__Pt__1"
] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Pt, |
PO_792b3a55af22363e7e916bd30 | 792b3a55af22363e7e916bd3068dc65f040798f9f290c3c954a0f303fd6941a4fa880723ffaa3efce276b88926c94a9b18b477dceccd9e3c1855631b05f752b6 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -27.45318 | [
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] | [
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true,
true
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1
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78,
78,
78,
78
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1,
1,
1
] | [
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] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Pt, |
PO_b5c279b5eb14ea402c7344dcc | b5c279b5eb14ea402c7344dcc8dcd7a47e4b20da77d35cbadc7f357cdf5ff9608b09301f5808ebec27ee85b1ab60ee74b9fd1576a4df86b7f53bfddd1ba363e5 | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -27.453183 | [
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] | [
true,
true,
true
] | Pt4 | Pt | A | [
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] | [
1
] | [
78,
78,
78,
78
] | 4 | 1 | 3 | [
1,
1,
1
] | [
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] | null | {"category": "bulk", "input": {"EDIFF": "1e-5 eV (slabs), 1e-6 eV (bulk)", "EDIFFG": "-0.01 eV/Angstrom (force convergence)", "ENCUT": "400 eV (slabs), 520 eV (bulk)", "ISMEAR": "1 (Methfessel-Paxton)", "ISPIN": "2 (spin-polarized for cobalt-containing systems)", "description": "VASP 6.4.2, GGA-PBE exchange-correlation... | true | true | ,Pt, |
PO_fc3d669bd07e815dd7bfe4c3b | fc3d669bd07e815dd7bfe4c3b1b22840ec7ef3a386724edc67c7d0479790b20dc7e4a9a9f9c68a526cdd0b44c5cd0adc3bd3532c99cbb6ce1124e32716349f8c | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -470.985822 | [
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[
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] | false | null | null | null | null | null | 1.638115 | 0.308418 | null | CO_3dc312ba3729708e78755adc2 | 3dc312ba3729708e78755adc25542ec5bf309170ec35478d063a5910f159af9ca89257ce55d570d830a468edb3166d9de4f601ccdcb2088d80396f39ee2ee90c | 1a125322d4abdd284aab329315744f03882c6c2f379dc10c7bd07fd02828bed12f14ff2eb5926393dca404f1c0e5560b6b440d5599d5569d4486ccdcd5722bbe | [
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[... | [
true,
true,
true
] | CH4Co64 | CCo64H4 | A64B4C | [
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] | [
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PO_6d36afcba8c718ec5cb2d9d97 | 6d36afcba8c718ec5cb2d9d97372e4a079be291f1653d21b0538e3e8708ae42d0d57e4d6df308c12946b4e028cf71a20638e0d583b9756125736f4a45c7adb1a | 2026-06-03T16:50:27 | DS_uy3ert1cn17o_0 | 1 | VASP 6.4.2 | DFT-PBE+D3(BJ) | -471.158477 | [
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[
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] | false | null | null | null | null | null | 0.957988 | 0.272516 | null | CO_326c7438ab4252a1e9ff58e7e | 326c7438ab4252a1e9ff58e7e0cb1786e6512b26b71fc56c9129645e2bae513479fcd58ecbd9ae0c3496992fbcce96237f61a3fd1e36c1bd588486771ea119c4 | 8a7d939517e35c3a7a922538913f35f07e124ffbc848bd1176a4362087f532b4566ab39bab5719a0465d01e3f3b228df43d559649c3e4cda2db4934194865629 | [
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[... | [
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true,
true
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