property_id string | property_hash string | last_modified timestamp[us] | dataset_id string | multiplicity int32 | software string | method string | energy float64 | atomic_forces list | cauchy_stress list | cauchy_stress_volume_normalized bool | electronic_band_gap float64 | electronic_band_gap_type string | formation_energy float64 | adsorption_energy float64 | atomization_energy float64 | max_force_norm float64 | mean_force_norm float64 | energy_above_hull float64 | configuration_id string | configuration_hash string | structure_hash string | cell list | positions list | pbc list | chemical_formula_hill string | chemical_formula_reduced string | chemical_formula_anonymous string | elements list | elements_ratios list | atomic_numbers list | nsites int32 | nelements int32 | nperiodic_dimensions int32 | dimension_types list | names list | labels list | metadata string | has_forces bool | has_stress bool | element_filter string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_abf63294e32addc99ac7bf05f | abf63294e32addc99ac7bf05fd8a3b256ebbccd533cc2e665e4b2363fc8c770929ccd38c99d012beb8f07c09e7fec03d80a1a673d757318a00f1516960f90166 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.947376 | [
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PO_40da720c99ed9bd15cfc7abb8 | 40da720c99ed9bd15cfc7abb8b7c1d3e6f7380afdf877dc71ad67a9d819c49755f14193475558ad740c703e21b5ab825e8c6a53be0caec2754ba9f3be93f584d | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.18709 | [
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PO_dc1af0d6ac782c47c3545a4d5 | dc1af0d6ac782c47c3545a4d5eeee539b5951b4b96f00b62d44e7471026a141b8a3ca9a64e9d4437649024cd761ce512440e5b9cf8524b3eb4a97560d2c062ab | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.346549 | [
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PO_d2f74266e1989c15b21026701 | d2f74266e1989c15b210267015f57760f7186d52bd4e4aaad2fb5f16d5ad18ebf234c0b92ba933fde3870b93b313dc85fad2bd03b10dd49a19ccfd9d41f4a777 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.729957 | [
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[
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true,
true,
true
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"Cr",
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0.5,
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PO_6c37cbf43d8a08fd2594e9911 | 6c37cbf43d8a08fd2594e9911ee16966dd5148d7b2aacc7083c96e06bdfa43862169fc9250d8dd6dd2f221dcfe145eebc235625ae6783feec4d9ae857f7fb344 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.145184 | [
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[
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... | 64 | 2 | 3 | [
1,
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"CrN-mMTP-Paramagnetic-ActiveLearning__5"
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PO_f117f6f4d1510bbe9a458904d | f117f6f4d1510bbe9a458904da74d18bc4fac5832708e4d80a84e25f5b0d6158799db968761b7723aa87dee4cd7633314ae68b1251da68a1b394b751c7ccae21 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.487232 | [
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[
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[
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true,
true,
true
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"Cr",
"N"
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0.5,
0.5
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... | 64 | 2 | 3 | [
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] | [
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PO_8353f86a0499621a6f5e4bfe2 | 8353f86a0499621a6f5e4bfe2b274f6615ed3f887bb101978a4ba9e94a632bccf6df869f2ab61b5dd399c9692a402410f322ade5046719a8dd1022dcd644ac99 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,908.853206 | [
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[
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[
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[
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... | [
true,
true,
true
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0.5,
0.5
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7,
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... | 64 | 2 | 3 | [
1,
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1
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PO_2ce9984a270026abab8f5809d | 2ce9984a270026abab8f5809d276e017d40cf3d31607be0473310802be77717ad60d2fc2c1864ce3170b517333e4b9c8d9def7e007c53a9f8a4b7f98a3983169 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,908.85756 | [
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[
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[
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[
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[
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true,
true,
true
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"Cr",
"N"
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0.5,
0.5
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7,
7,
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... | 64 | 2 | 3 | [
1,
1,
1
] | [
"CrN-mMTP-Paramagnetic-ActiveLearning__8"
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PO_83997a42c7a86713394f497e3 | 83997a42c7a86713394f497e3bb0ae39e024d15bc2e8c078cdc745c78a2c724fb78ce2a7659072c18febec499f3352c467dcfd47c84130d16f293f7017ddb91a | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,905.17232 | [
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[
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4.13,
4.13
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[
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[
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true,
true,
true
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0.5,
0.5
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7,
7,
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7,
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... | 64 | 2 | 3 | [
1,
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] | [
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PO_f6d43436d4ae35841304068de | f6d43436d4ae35841304068de411887e1b180f6310f7b7b6fe9b77d0ff575e62fb756cc1494d6aed04499479cbb18fa8dcc98c287fe64ee74d72b80dc695cd4f | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,904.490675 | [
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[
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[
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[
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] | false | null | null | null | null | null | 1.177414 | 0.585752 | null | CO_cf87f4e73c55d92390c3dc776 | cf87f4e73c55d92390c3dc7762383b4c285407671915ad904abefc7f3571d0cdd43bc79dc06190e9bc3049d8b171ac02eaa7f6f72f7a283fffb6369553ed9575 | afcef541ff1ed98e9a234a6a84ce8d483ba9b94ee851303f4b0643686f342405bbf213b55c5eb31f980fa5f9078b4200cafd6c2f2c6cdff9b027ffd271e41cbf | [
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[
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] | [
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[
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-0.036865,
-0.000871
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[
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[
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[
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4.161718
],
[
4.123227,
-0.007974,
4.102659
],
[
-0.004... | [
true,
true,
true
] | Cr32N32 | CrN | AB | [
"Cr",
"N"
] | [
0.5,
0.5
] | [
7,
7,
7,
7,
7,
7,
7,
7,
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24,
24,
24,
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24,
24,
24,
24,
... | 64 | 2 | 3 | [
1,
1,
1
] | [
"CrN-mMTP-Paramagnetic-ActiveLearning__10"
] | null | {"input": {"description": "Constrained DFT (cDFT) with PAW PBE pseudopotentials. 6x6x6 k-point mesh. Plane-wave cutoff: 25 Hartree (~680 eV). Collinear magnetic moments fixed via cDFT constraints."}, "property_keys": {"atomic-forces": "fx,fy,fz", "cauchy-stress": "PlusStress", "energy": "Energy"}} | true | true | ,Cr,N, |
PO_bb3efb43db6823a2ffbbcdd96 | bb3efb43db6823a2ffbbcdd96a7ee565eb1bd6cbc624c534a75d4cab556392597846a7209754c35485a19f5160b89fa84bf10b75a4f91d8ba032d4ca982095c4 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,904.570949 | [
[
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[
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[
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[
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] | false | null | null | null | null | null | 1.074973 | 0.558923 | null | CO_bcd9086f3eee534459b0b6d7a | bcd9086f3eee534459b0b6d7a5d70e090d344f2787edf5d4a41adabe9cd2f985fe52ca05125691702467fabd1418e7b33f9b3db0e997276bb26c7afb6bb867d5 | c4fea3afe77137b8cb517436547e798e1978f3046aa3c31c876eeff97a4b0d2094337c9cfdc1c6a9d65d356ca0215cd99dabec4c495f83b3d12a7a6a79827831 | [
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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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[
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4.133634
],
[
4.162297,
-0.014204,
4.119345
],
[
-0.0... | [
true,
true,
true
] | Cr32N32 | CrN | AB | [
"Cr",
"N"
] | [
0.5,
0.5
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7,
7,
7,
7,
7,
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... | 64 | 2 | 3 | [
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1
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PO_0391368b9b80d79f4b263bd76 | 0391368b9b80d79f4b263bd76066cddc51de1c1143bcd1a746dd0c95606c66412bff8524e1295c45c9aa566c1d8de6281cf17bf6f37eaf09eba9bd9a697fbc50 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,905.34865 | [
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PO_5d3fcda5391e8c4c22d3d2301 | 5d3fcda5391e8c4c22d3d230131aea6551585293b5dead1caf8d38770bbdb77228ff8b11acb8720c2169c81a2bbc64ebdb73a1b6f9b2e36adb84e55d4d7e8d29 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,904.644147 | [
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[
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true,
true,
true
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0.5,
0.5
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1,
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PO_805812d75f794a769334cb140 | 805812d75f794a769334cb1404970ed30cf45f3de44e415242c38d9e62703484bf45cfe98a1c108d1c4469560ae10566e0c259864aba421ddc631ff2ede7c753 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,904.70374 | [
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[
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... | 64 | 2 | 3 | [
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PO_4eabfb42af8309224e2f903ff | 4eabfb42af8309224e2f903ff2aa05db38d28dbae92f8a4e9183f076a3ddcbcc70997069d5f5581c976c6b5a38bdcc320f90ba7f726212d0c5fc2b12505e8226 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,905.304296 | [
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[
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[
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true
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0.5,
0.5
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PO_d30b597ea3db83da12391c7dd | d30b597ea3db83da12391c7dd0af2be4e5d2cf697596404f68206bf77b6ee1c3f158dbb49ec51c8321b30ace5ff2eb0014ddb0e8eb5249be9405052a868c7047 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,904.693672 | [
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[
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[
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0.017768,
4.149067
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[
-0.0248... | [
true,
true,
true
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"Cr",
"N"
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0.5,
0.5
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7,
7,
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... | 64 | 2 | 3 | [
1,
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] | [
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PO_e8e4b82527f0c327b86c00d95 | e8e4b82527f0c327b86c00d95d9ec12c9fe3275e6c8ae2ac8dff4048f3d58731ae1fde5d76f147c704913c742b86a13cefc2fe3602cab5ba52972fa3e02e8397 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,904.613943 | [
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[
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[
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[
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4.178674
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[
0.023601... | [
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true,
true
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0.5,
0.5
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... | 64 | 2 | 3 | [
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PO_6413b4996a872819029f248cf | 6413b4996a872819029f248cfb7546a852bc5ce67b2ffbf82236e705cddd67e96affd905ce63c85c77f9af05e7ea876ed416a538e8719c11a3781b8aee738862 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,910.187653 | [
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PO_4e909edf589cfbf95d65d0c5c | 4e909edf589cfbf95d65d0c5c6e880555a1393691d6338cf53f7ba86a5001e04577f25a23eaa45361379342de3202d6f28d29f3834cb4bcd26ff645f3a0e40ab | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.880708 | [
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[
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[
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true
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0.5,
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[
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PO_9fac89174826f0d28008e8dd3 | 9fac89174826f0d28008e8dd356ae2b258d96677b1d456b1ab254f6555896012a7dffb40c1be06f7a5e9342fc701be3b70a89a9dcc0af854e44e2bbe8ee4f75c | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,910.193912 | [
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PO_50fa8aadc12513cc7faf7f76c | 50fa8aadc12513cc7faf7f76c8fc4dd98919e966fafc94421fa45914c4d3dce9393bfcb96becf4281d5071ffbcb05d76eadcad474fbe82aedfa2e7eb2fb90518 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.617574 | [
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PO_be6171a18b7d8b094eeece909 | be6171a18b7d8b094eeece9090df405d6ba1d07296bcfbe93dc4bd44f44ede72255539857a89773c46b45f0e8cd29e76675a0be61d50840ab8505989e0d0468d | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.467367 | [
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PO_7b664d0486b96fad3a9e1afc2 | 7b664d0486b96fad3a9e1afc2ba2fd9871d1defc5a03b0c69fe6051c6dc0dc190444ee95232ee9ddeb6c30503d3abba02e44ff883a82a0e5b605f7089b3f6c8a | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,910.598001 | [
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[
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[
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true,
true
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0.5,
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[
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[
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true
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PO_0d5e2b24af89c8486f81e9030 | 0d5e2b24af89c8486f81e9030f06a1f8974c5983d84d226fa1e646eec76378600a18b3a34a2aea616f1baf90271fd1173194be998668f41c2cef3bde8b40f804 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,910.067106 | [
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PO_c2fc79659d48f0a7b1ee5bca2 | c2fc79659d48f0a7b1ee5bca29865bf60feb79ec7f0108a304dfd1bd6bf8cfd87cd10a75fce0c1414892ce3873611ebd5f545cf2a7809be3c31189bb52249b56 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.666011 | [
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PO_9d7fad47f748c2be6edbc50c0 | 9d7fad47f748c2be6edbc50c09b632418232bf178a7fd26f012459eb013f20c1559f2183a200570fd2c758f4a66b1fa1512676cbf97763b11da9950fef11a241 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.434714 | [
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PO_8a8d6facdc76c003f634c6e5b | 8a8d6facdc76c003f634c6e5b832d3ceafe932506d585271bd6bf645b07f395eae219b7535caf124fb6f4fbf4ebab7c86e4e6b76cb5f430eb125404b417e0242 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,910.140849 | [
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[
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PO_4e7d6eb262d441affd961c249 | 4e7d6eb262d441affd961c249cfdeb8f862bfc0edd37a740b1afcaab117efab110076ba75ab8b8bd3119a53e251fe7817f708f35883a72e3c58f297194f772cf | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.223825 | [
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4.177089
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[
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0.014562,
4.146982
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[
0.027... | [
true,
true,
true
] | Cr32N32 | CrN | AB | [
"Cr",
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0.5,
0.5
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PO_036f498e4f857ab0dfbba457b | 036f498e4f857ab0dfbba457bc48aa46a54de9b01329ef1809aeeef9d382c82544b3139bda74ba1a8a52867c4c416879d1eb4833c9242a789c9287424f74aeef | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.442605 | [
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[
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[
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true,
true
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0.5
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PO_6e93c5a9a408819cfa51fedff | 6e93c5a9a408819cfa51fedff2fe9ccc98950c1ed2c681ae42acade0af10ac17ea81f992086ffa904cb539393fdd8b1269ccdcf23f852936fe91432a714b56bd | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,910.676098 | [
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[
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PO_6da28e20513ed05acd3635f89 | 6da28e20513ed05acd3635f89f77353d3430474d82b64907405b041ad01e1db977c9336f74035f2bcfa36a7d04c460bd9b0fafac6b13222744e428d1bdb9f3bb | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.786013 | [
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PO_b754e408ceca7edf0b6581f0a | b754e408ceca7edf0b6581f0ab84a6c8c115c81d5816c2ad92d5b61942226a66b68a6be373520b07eb82499b34b71a54a56a83557e0a0e3f0c5790f40a42179c | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.579206 | [
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PO_cc2e1d178de5c93c68b6a3a17 | cc2e1d178de5c93c68b6a3a17afcb2390b99873035f0ab2bbe1f4cf492bf067b999499a0ef9a63be913ca7abe0e51187c9edc1f8554282c282d820365477331b | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,910.25813 | [
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[
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0.5,
0.5
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... | 64 | 2 | 3 | [
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PO_5fb45a80e8d58403bd2ac6654 | 5fb45a80e8d58403bd2ac665493bcde891440ae9a9cd71b916796c7627055cffb081b909ba330d76cc3114e69b1b05c5583e258d511391082228e87514ea1128 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.794448 | [
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[
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[
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[
0.0089... | [
true,
true,
true
] | Cr32N32 | CrN | AB | [
"Cr",
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0.5,
0.5
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... | 64 | 2 | 3 | [
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PO_c90d2ce87e53f714726074f6e | c90d2ce87e53f714726074f6e896bb25d510c09daf6314b345886e58b4714b69e178e72ccb0252872df2ba7439fafb97c2c96bf50088bfb848b7265af8dbd587 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.525055 | [
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[
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[
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4.128977
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[
-... | [
true,
true,
true
] | Cr32N32 | CrN | AB | [
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0.5,
0.5
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PO_843d46ab892fb9fc63e240bf9 | 843d46ab892fb9fc63e240bf91fc12e8d2bcdf1e0d2d3ad42402b884a28fcd0536575624f3bae3a01d2ed5cbbe43dfda91e870a402a5a8a9c9ed2431e643d394 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,910.212415 | [
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[
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PO_5b7ffe03a92aeeac80d8483da | 5b7ffe03a92aeeac80d8483da7cc4be5bfc058384c65e8dc3b1812f702f2f187fb2943a0e6ccafc03298da9c62d7cc7a9415a006507e9ade60d102034356d3de | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.67363 | [
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[
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0.5,
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PO_55010439b26bfe3fcbedb8bcf | 55010439b26bfe3fcbedb8bcfa1c848f89a77ded039b11b0c91ca8f46db534cc2598a9f03e227e33e6ddb8e9b04538961c032ed5978dcc9a7ad1e21cfe00ac42 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.53975 | [
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[
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PO_c988ea0a669f193efaf5d8e14 | c988ea0a669f193efaf5d8e146235602a578c161c043e0ab24104f0d2ee75bae9aaf2168ca4ec9d14a5fa106bf4202df1c01e1397ddd53c03f2ed01820fe437a | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,910.745759 | [
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[
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[
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[
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PO_7a834eddc074433514f52dc3c | 7a834eddc074433514f52dc3c06f6f574b0748ba1008e317ca0c58e6ebf82f871ec6e21ea4f906aa56cac74ad252020fe9cf317a0668f2c07b49cf331cbb6f31 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.678528 | [
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4.150237
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[
4.140655,
-0.009577,
4.104642
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[
0.022427... | [
true,
true,
true
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0.5,
0.5
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... | 64 | 2 | 3 | [
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PO_ad865801b4d252fa384cd278d | ad865801b4d252fa384cd278d2f3506243a2eca0ed1ec70e297802a07a4525f57c1a9737bc70d0de758f998ebc7c9a7897669b98434913b7874dd82f5981c889 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.696487 | [
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[
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[
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4.144455
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[
0.0117... | [
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true,
true
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0.5,
0.5
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PO_7520a71c29cd43fcf8aab3346 | 7520a71c29cd43fcf8aab33461d1b0b6bf73587cd10773a41625b85793a6a34603fc7bf4d31b2a712cda37940f77cd7350bfefc495875bd5d8ae276859d7b3bf | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,910.310921 | [
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PO_710b87faa8a26664d4473052a | 710b87faa8a26664d4473052a8534ffa8ff0038b047790d4578444899faa40f6a8a148fc10fcfdbc1f648e2472e6a6398d7e8ba63306577bc86057345ff884e5 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,909.594717 | [
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[
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[
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[
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PO_7242fc80cbe0e591405c0cf7c | 7242fc80cbe0e591405c0cf7ceb660de735420439fa695d1dfdf305cef9e21535353d8af67d9818c7f9b6eef820db6f9e2d53a1b96b7b521b41b7a9fa0f30e00 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,908.145166 | [
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[
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PO_59ab8164030499e496e6a3054 | 59ab8164030499e496e6a3054dccd38e394b8ec773e0152e27490f3af3451904d5684c45e401a397418546636895759981c53011577f4513cc6e3e0097e41355 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,907.971013 | [
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[
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[
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true
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0.5,
0.5
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PO_bd5e6a153864ed39f4c78909b | bd5e6a153864ed39f4c78909b75c8dd4362afcc1be92b61fe42dd4e13714491b55c9bd51081c4d8c2f80e0d310590c59fadf975fe13721d1929d6926e9b654dc | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,907.089635 | [
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[
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[
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[
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[
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true,
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0.5,
0.5
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... | 64 | 2 | 3 | [
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PO_a9ee9384841d652dab6c18516 | a9ee9384841d652dab6c185167e3d72a1ed8a64b38e844647c8728e023db2a7d5d14569046f1f8086a21f5b2a6d345d0fe80788f75e5a3c2ccad47b2b1c8edfc | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,907.148956 | [
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[
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[
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[
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[
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4.122896
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[
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4.157093
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[
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true,
true,
true
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0.5,
0.5
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... | 64 | 2 | 3 | [
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PO_1e84dcf4aa5be8709f9babb41 | 1e84dcf4aa5be8709f9babb41b3b77343d8228dd631154baedace2c03843b7c1438721f9a1cefa89e20859c6561a03f090f74e3b595744cbe32a39bd7459aad4 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,907.590053 | [
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[
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[
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[
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[
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[
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4.10902
],
[
4.125292,
-0.009162,
4.125127
],
[
-0.0... | [
true,
true,
true
] | Cr32N32 | CrN | AB | [
"Cr",
"N"
] | [
0.5,
0.5
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7,
7,
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... | 64 | 2 | 3 | [
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] | [
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PO_86288e14fb4e29cd621621db3 | 86288e14fb4e29cd621621db33c00324b4218f5588ba1981e3308af8877daf5a9670776c04eb4671d7f1886f382a9e8ca1721722b2f7f53bb73dbab3e1afe9bf | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,907.905705 | [
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[
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[
4.125292,
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4.125127
],
[
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true,
true,
true
] | Cr32N32 | CrN | AB | [
"Cr",
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0.5,
0.5
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PO_9b783c72ab7a88971c110a14a | 9b783c72ab7a88971c110a14a6f17581711c1caa4246b427a80457d9ff28ceaf0cd03ca8b7411c0e4db35830225f7ae3ad4e082d6cb8ced73bca6ffc0942d9e0 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,907.514405 | [
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PO_a115271d51bc1d2ee2b14b48e | a115271d51bc1d2ee2b14b48e66696066ef5fbad97f9fd1b168e8ae8c762e84d74c4343be403573987fe68aa189b72c597e2a44e644ce00ee0f40e8a502ea513 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,907.851555 | [
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PO_467bab587a7e233dbf226474c | 467bab587a7e233dbf226474c32312b302f638a4548679e7615543591ec95cafaed7010e9154373cbb11c2401f884dd9417f3c14af5dc33f0705054d1cc6cdff | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,906.88038 | [
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PO_4b19633c8974618b8ee8cd111 | 4b19633c8974618b8ee8cd1119679ed578a1a4a1bc1d1af5365b25317897e40da0c386df1553e37e8676814e5e0161a6f00c7c0daf0fd63be7dfe01b033ecacb | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,906.912489 | [
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PO_b60bc17c172492f4674432d64 | b60bc17c172492f4674432d645e5c87fc2b0d1a9a894af7f0d3f2255060705d865ad62c3c34f1e71aac034e3cb4302d97499f8299a5b2131f66992c4f3810b0c | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,906.746772 | [
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[
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4.173453
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[
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true,
true
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PO_35aac7f28ae16e0e1170d11fc | 35aac7f28ae16e0e1170d11fce8c116cb21922e4209fb781201bb05ded92e5e1168b5639cdb4bf5e83e2f2cb29432853752a2df272cd075c30adf0ee2b4054f9 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,906.993579 | [
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[
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true,
true
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PO_610b8af5c37102fc31a661a50 | 610b8af5c37102fc31a661a501b167514fcd34d311667a6e7033926c3baf5d9a21535b79f0e8aa8f38904aea07be1c09c2212fa0c72245c95b2c78b8fc671c45 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,906.833576 | [
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PO_2668392c47a17582a6ebce96f | 2668392c47a17582a6ebce96f9f719120089a46c1b4c261a8f1ce5c4738c760292f277a19a9a65881865e5e95ae7613d06b691979225b6c998fa53813a2e61b8 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,907.707606 | [
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PO_50e94b150932c0e0e78dc7207 | 50e94b150932c0e0e78dc7207da36c09558c411e4e4963b3fd5683000490dd7b0e637cd2af10f74c0fc0de1f394cb9a3c1d4d564c7d5cf44e3ed8d1a5ca3e128 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,906.652893 | [
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PO_e2f3b9d616d80356f47e9672d | e2f3b9d616d80356f47e9672da50718f6006c563f559a8e7143cde81aac5fa82d0890dae33f07944b796984572c0bd8073b85a343f6e7d6a23a6859b8b47cdeb | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,906.504863 | [
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PO_56ebbdde294ccad63573a0a6f | 56ebbdde294ccad63573a0a6f397aca6662329524f779eab4ba5990e6ca0ab651db28115cb95e3edb6d28f4b8739d87d3557be35ab5bf46e8591c538ba2666b4 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,907.186236 | [
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[
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4.191851
],
[
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true,
true,
true
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0.5,
0.5
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PO_5f13b62d904420c6588a28af3 | 5f13b62d904420c6588a28af371f18e6d1c2fac68ae9226d5238380f800131db2f7648aca4c922bdd4cb1c89b39ad856fe8917112281ec91cedd6b977dc8ecf7 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,906.94868 | [
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[
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[
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true,
true,
true
] | Cr32N32 | CrN | AB | [
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0.5,
0.5
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PO_01910bd2f525ae96cd25b5ea4 | 01910bd2f525ae96cd25b5ea4d89f3c662f4066c6163b7be1514ad5a1cf5a92fe7ced887626d90a8f9ad101495c8de875007ab501507b4cc3e2ecd8e63193730 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,902.549414 | [
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PO_b5e8d29b6afb6801b4fea988b | b5e8d29b6afb6801b4fea988b773b359f15f474d886ae225d6369c07be5ce3fdd813c41787a33083c444d28e1cabb04337c0efdb1500c7c026572b904cbdf3bc | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,902.791051 | [
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PO_ec01f7c9a029634f88c40f253 | ec01f7c9a029634f88c40f253be8b2b1a498776d0baca27804f9c097eb5654aec2444aa44edaeaf0a6e6060a0b36f8d60d2c91d70de199fab841cfc523e7401a | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,902.664246 | [
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PO_4bc681ed8b1909da90bd13178 | 4bc681ed8b1909da90bd131782ca4d3e2aeeb892ced62791c6dd0150aba9f6bcbe9c1392a3a7b3388af5a512e2d615bf389242923c44c1398badc7f7c10bbe29 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,902.376077 | [
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[
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[
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[
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[
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PO_886f8386e13b20570ac85562f | 886f8386e13b20570ac85562f073f568622f488531435f0788ae38f8925be80ca885f0b69cada1103079ec92385d36ac9125c6458f379fccf858081cfec78d08 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,902.872141 | [
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PO_aa3ac8320e34b085054acc71b | aa3ac8320e34b085054acc71ba6728199eade9eeaee9dfaebbffc4c1a5ed7640035283cdf3be4b9b53bb218ee150e732a700ad2687584b2af5d24f33d9b06e41 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,902.71105 | [
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PO_ba129304451fb07774ae6dc03 | ba129304451fb07774ae6dc0303b77549dbcdf54be8496ea0a11b181bd9717426c1ca23269da1bf34817e8621421cce38f80d5d488b92d7892e430dab01cbe20 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,902.674586 | [
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[
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[
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PO_84b7cb5389a4121d970ac7927 | 84b7cb5389a4121d970ac792722c9bc55bcf154c5498f1cc2c9a57489995362df1fb8f2d25b90008863550e9d02d3029057df55d5b07c0c1d5fa8790d94935c5 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,903.085478 | [
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PO_c269b34bf2590c6e4c3cb11c0 | c269b34bf2590c6e4c3cb11c05440f37e2502ba85257b5c24fecde92093232df29365ef798b6af7d3f468607bd98fa660cf6df907e107ee282ef0abe6a88331c | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,902.001921 | [
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PO_beb21fce305622aa1f14c3de0 | beb21fce305622aa1f14c3de079ed742efa853347177e99ad5fb80b5464a1057093d52597a6c0280f62cab1fa0b50cbf721a0debb4cbc66d136f2c4c0288d264 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,902.643293 | [
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PO_047a0f009c22d8e0f096068fd | 047a0f009c22d8e0f096068fd98150696a3c4f0c332c1c0075e68a5c17af01bcf963665d3af5db9f31498990bab75afb4d618ec05e508d29e58e3d0d818db35e | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,902.109678 | [
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PO_4b67409da6e079f9046e88761 | 4b67409da6e079f9046e8876138a5c5f1b541cd7c45c1454e7f9a4c485888305631c16e1b469f1ef3eda57fcdf6fbf766d3ee2a5b74cc742717f0e5e1fd9f5d6 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,901.492251 | [
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[
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[
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true,
true
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0.5,
0.5
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[
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[
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true,
true
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0.5,
0.5
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PO_40e048fb2b312e7d968d620f9 | 40e048fb2b312e7d968d620f9c13e07b31f62d2937495b338d2b7ca306beaf107a05e2f471eac771c5ebe77ca22187632710033303a2bfd6df7e988f22ab8696 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,907.97836 | [
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PO_7fbb28fab46f6fe0f6c44440a | 7fbb28fab46f6fe0f6c44440a3300e3e90f6b5b8f3ee02744784df017b8c7006152cb5159b42e4967bcbd65560cf9ee25301bcbdea8b4938a79e318a034029a3 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,908.454559 | [
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PO_97323491cbf685e649b254789 | 97323491cbf685e649b254789bfe15ff55ae0c54d123f5ae15d8b56e4ecfa82336f2ef9a5b548ebca52fff281dfe5774ca371a880fd1969d27032e0211239da6 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,907.384335 | [
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PO_76e3c6ae82c9df80136447e53 | 76e3c6ae82c9df80136447e53212e63e5b58da0f41b43579391b4e06afa1e93c11d76b9fb87d4cabe78fb2bbb30b1093cf87b843d1c42bebf214fc97d91b89d1 | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,908.061899 | [
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[
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[
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[
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PO_1cc2d3c388d2fcbb76bc89450 | 1cc2d3c388d2fcbb76bc89450641ec86c9e173a32982ad291b56b6084f33e35e469d98749aa3a1bab42c707f2428e71a2ea6a4de9e218e8f899855e3fffad2ff | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,908.043395 | [
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[
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[
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-0.019597,
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[
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... | [
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true,
true
] | Cr32N32 | CrN | AB | [
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0.5,
0.5
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... | 64 | 2 | 3 | [
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PO_f98efdd70ebe2bf305134fe73 | f98efdd70ebe2bf305134fe737f05bae74720076aa6c29d7f817eadad98f1a23dd5f3e4340f32ffb7105f1fed0997626f8e21559d7e79abb6dc903d4a19fb13a | 2026-04-14T13:05:30 | DS_zjs2zamw2hvn_0 | 1 | ABINIT | DFT-PBE | -84,906.486903 | [
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[
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[
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true
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