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PO_4747118518458028395200598 | 4747118518458028395200598048475298075637605557063668248487446324515800633218720623580999594851641176495644408380495856824218835369604725711782227764518773 | 2025-04-16T18:24:27 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -304.350257 | [
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PO_4752194887353644507441009 | 4752194887353644507441009111596744757011278961538264214037888770787182884635723212441289497833147801329483726371874177811927998047739705026060061122562122 | 2025-04-17T18:37:27 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -18.611621 | [
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PO_4785749969366452771561500 | 4785749969366452771561500891059545357763579402596154181663056548099580920272696749393352821561588809485822034228593004132771336933503519580541456798694276 | 2025-04-16T18:09:42 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -309.219661 | [
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PO_1069925686073903897798529 | 10699256860739038977985299821295837368562484457173425820188574151055757318656684339480029181492018089110721443710346142635694253672206875921408880550121463 | 2025-04-16T21:51:00 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -1,044.41869 | [
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PO_4799412219119286419344662 | 4799412219119286419344662348782395672511137237528659101076110268037617005290305604880928968602778960431082491423148077130110757062119231725230681870975191 | 2025-04-16T21:37:22 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -304.350273 | [
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PO_4513214861654604991250100 | 4513214861654604991250100389958842503378540221632979555677592256296369601034334196279616664548865852284850909286479127500124048559143967564705037933583444 | 2025-04-16T17:52:39 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -309.515688 | [
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PO_4512626994194139871723581 | 4512626994194139871723581883112286089659855885334946836215948100536833619157467612529093125562964605745858932271868044461400914458734912453260763703223568 | 2025-04-16T18:14:17 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -37.065734 | [
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[
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PO_4515763383251776555576558 | 4515763383251776555576558835434194977269636633325252277025508849005673532584866771468258952670126532184921226318682016021073715831150942643125931099747606 | 2025-04-16T15:43:44 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -38.215191 | [
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[
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[
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PO_4522905112697820693985571 | 4522905112697820693985571838866113371154780160718424412323311869674429803005575636493684079781641305257772710339765171695238334631122686376908728085958425 | 2025-04-16T17:18:29 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -309.819708 | [
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[
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[
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[
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[
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PO_5028272879410265191371932 | 5028272879410265191371932522813710165034893265971296581348618219349280090646456361571413368438753101629778010812524006006752922495265132124898811017943630 | 2025-04-16T15:18:29 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -37.995666 | [
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[
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] | null | null | null | null | null | null | 0 | 0 | null | CO_5872392710333424889779827 | 5872392710333424889779827537674591120327822504100595405187481396932119801943611665379590090801869921201318020165161561205218384512658599474119129891107512 | 3193858015307160561236966726392160723364462497592497129021123006647967698971932329919427718363510915612772243871204527668142113734180894791730668593363094 | [
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[
4.14035,
4.37... | [
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true,
true
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0.5,
0.5
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49,
49,
49,
49,
15,
15,
15,
15
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1,
1,
1
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PO_1073034068823519935833913 | 10730340688235199358339136528483635416033662534729859242269139402071905170251146410120343774515539508375711259177411030445639732435538123730908968943985690 | 2025-04-16T18:05:35 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -295.074694 | [
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[
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15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
... | 62 | 2 | 3 | [
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1,
1
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PO_1027194613654786281805084 | 10271946136547862818050843929876037720903392377450717884155243648371016794121770318644248172125990268355940015105475246221038066275914514507256868783587744 | 2025-04-16T17:41:42 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -38.307363 | [
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0.5,
0.5
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49,
49,
49,
49,
15,
15,
15,
15
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1,
1,
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"EOS/InP_eos_1651"
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PO_1073581998346307280879980 | 10735819983463072808799801805795896993716185509561517602962104232504080461796100234742730187715978117728701731299817678242821510693501722302822883799728776 | 2025-04-17T18:26:41 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -18.759509 | [
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[
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[
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49,
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49,
15,
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1,
1,
1
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PO_1073806694690306811568091 | 10738066946903068115680913698548353964990159160585604675320148951519014310289230345124611533268051752955486342313004072216323372495054568382176279740271770 | 2025-04-16T18:56:42 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -18.611291 | [
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[
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[
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] | null | null | null | null | null | null | 11.152016 | 11.152016 | null | CO_1000232660570652021618082 | 10002326605706520216180829943541567379537618573271173327076250129044331881702544620677307690054392046404081322232578015820881712175252952401415831218942458 | 649787170602479258272541889543861414133686296948079962565003259177737878031090581784094506220647261987016080842573766942941894825487498181669753159685228 | [
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[
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[
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49,
49,
49,
15,
15,
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15
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1,
1,
1
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PO_1026830678301765763415102 | 10268306783017657634151020205792604304637017306028163107894276217201371388300703505611723991707331436848535085005091071924047287988119622558969076461841672 | 2025-04-16T17:24:18 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -38.407707 | [
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[
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] | null | null | null | null | null | null | 0 | 0 | null | CO_2816406806829839666037125 | 2816406806829839666037125034686306507202470535054683572645508929650143082313736637101358132125812802205803171436731235568400234549277716949819944782170798 | 2588310270449167863129100643200106385383059132982290304129361736842413651053302440348432491751919852721025582850758669190413939996710629479363111855992949 | [
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[
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[
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[
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[
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4.71309,
1.49327
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[
4.10018,
4.71... | [
true,
true,
true
] | In4P4 | InP | AB | [
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] | [
0.5,
0.5
] | [
49,
49,
49,
49,
15,
15,
15,
15
] | 8 | 2 | 3 | [
1,
1,
1
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] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1026816595490148107901940 | 10268165954901481079019409663224172014219176539562925421438422974785602823559942393762633212381657486550704596469281884151749967335083554201745220120214347 | 2025-04-16T21:12:08 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -31.893033 | [
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[
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[
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[
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[
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] | null | null | null | null | null | null | 0 | 0 | null | CO_1265606751323704391495195 | 12656067513237043914951957244958022970790541123863972898263118711524410413090259895720860759675182563205844403516604905826005465026347169985112707056765906 | 6424673604058990102924668665822366420942142821960040234906896850758258362805584356693936665233803681375811706157203782329567115749738527631180212223270866 | [
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] | [
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[
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[
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1.7175
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[
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5.1525
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] | [
true,
true,
true
] | In4P4 | InP | AB | [
"In",
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] | [
0.5,
0.5
] | [
49,
49,
49,
49,
15,
15,
15,
15
] | 8 | 2 | 3 | [
1,
1,
1
] | [
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] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1072340636250117693143175 | 10723406362501176931431753449012624220820552929964098871703016763435248324974405739911893896003521704786839859660535746306208688026304613607376725864443233 | 2025-04-16T17:20:23 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -37.889701 | [
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0
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[
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]
] | null | null | null | null | null | null | 0 | 0 | null | CO_2069485077928638271562092 | 2069485077928638271562092684693414706346224251212344668459482525164476324518135223639890460753446244417661375621784466637847940690048916979918996254728991 | 8383163946349632392347570958227793239173888340238429694377850661464584461325258708634074482857126247601472523626170647159744396002759949036887798432420724 | [
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[
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true,
true
] | In4P4 | InP | AB | [
"In",
"P"
] | [
0.5,
0.5
] | [
49,
49,
49,
49,
15,
15,
15,
15
] | 8 | 2 | 3 | [
1,
1,
1
] | [
"Strain/InP_strain_371"
] | null | data/MD/5165/MD_7964639482890510039065165.json | null | null | null | {"input": {"encut": {"value": 500, "units": "eV"}}, "hash": "7964639482890510039065165051658847026093934348828101062120947938162970662739496050937512370254508847409185916777813992712077345296435453266837166248028598", "id": "MD_7964639482890510039065165"} |
PO_1027331468044898546245731 | 10273314680448985462457316072542177590608548972884490202959078734069700657464472989279403445797905592496513101027380211524427740290756933780767192237551876 | 2025-04-16T16:48:30 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -304.35048 | [
[
0.000224,
0.000224,
-0.000559
],
[
0.002704,
0.002704,
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[
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0.006968
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[
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0.001984,
0.006968
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[
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-0.007842
],
[
0.001483,
-0.001079,
-0.003187
],
[
0... | [
[
-0.0013423613677037123,
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],
[
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],
[
-3.183169654200462e-7,
-3.183169654200462e-7,
-0.0008947016086679875
]
] | null | null | null | null | null | null | 0.008826 | 0.002943 | null | CO_1326606628513641340799135 | 13266066285136413407991354138686380882455118010736803428076431151159927522335982895764692969459462016567689093265795579868097051393303173872944450317104195 | 1103328247399054954455376710242593955197302724468805565900562284784290550506045713670936426816141653687256164558621524472740895853605931700003042758864020 | [
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[
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[
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[
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10.3276,
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[
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[
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[
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[
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10.24386,
7.32451
],
[
1.46168,
7.3178,
... | [
true,
true,
true
] | In33P31 | In33P31 | A33B31 | [
"In",
"P"
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0.515625,
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15,
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15,
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15,
15,
15,
15,
... | 64 | 2 | 3 | [
1,
1,
1
] | [
"s_aIn/aIn_0_D2dpr_tdA_sc3k2cl_d0lda24"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_1027320883368631899236501 | 10273208833686318992365011634015858482562550206590547134754294168111861130826578279500469030514668838657524192848802799926323382547949363745141852082712536 | 2025-04-17T18:06:06 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -310.185928 | [
[
-0.00768,
-0.00768,
0.002791
],
[
-0.00768,
0.002791,
-0.00768
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[
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[
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[
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[
0.002992,
0.007672,
-0.001071
],
[
0.00299... | [
[
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[
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0.00007094723423391499
],
[
0.00007094723423391499,
0.00007094723423391499,
-0.007152014235657983
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] | null | null | null | null | null | null | 0.016803 | 0.00814 | null | CO_6618809028924783781678641 | 6618809028924783781678641173573371415560973269802627032005538418917710974978814117809378560228043845429326311798331154907635422917952841718825103051991482 | 6519394801035237907116742152510649941641622616640672695473571523485899321333888325435764465027486996015242910332182745484187874268485334303726722627842504 | [
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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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[
8.77445,
-0.03061,
5.86744
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[
8.77445,
5.8674... | [
true,
true,
true
] | In31P33 | In31P33 | A33B31 | [
"In",
"P"
] | [
0.484375,
0.515625
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49,
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15,
15,
15,
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15,
15,
15,
... | 64 | 2 | 3 | [
1,
1,
1
] | [
"s_aP/aP_0_C3vTS_tdC_sc3k2cl_d0lda46"
] | null | data/MD/5165/MD_7964639482890510039065165.json | null | null | null | {"input": {"encut": {"value": 500, "units": "eV"}}, "hash": "7964639482890510039065165051658847026093934348828101062120947938162970662739496050937512370254508847409185916777813992712077345296435453266837166248028598", "id": "MD_7964639482890510039065165"} |
PO_5045198805757167554881196 | 5045198805757167554881196934481914478225764377340502207463812893537696683150154727171475543786344387186654121108337663577138610593590908547052041385048484 | 2025-04-16T21:52:07 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -309.218802 | [
[
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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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] | null | null | null | null | null | null | 0.02215 | 0.004298 | null | CO_1011776535099401147175969 | 10117765350994011471759695887518008624760384570830071627733652274622345337414431361114902410497821634077925025661709560975019552245832894754261124027157474 | 9343794610388824098205090235739936480393389973052370644272818850654118864718675459325522348886501678693286473255449724388581398161145403878613086455814372 | [
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[
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[
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[
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[
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[
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[
1.47483,
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... | [
true,
true,
true
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"In",
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15,
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... | 65 | 2 | 3 | [
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1,
1
] | [
"s_iIn/iIn_0_p001pCs_tdA_sc3k2cl_d0lda24"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_5041601785484613152161669 | 5041601785484613152161669965116329683327097961460018415976438912194070197873938994041149280876206131738389142458038459044501457282039682411481159893275765 | 2025-04-16T20:45:40 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -38.063904 | [
[
0,
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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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[
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[
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] | null | null | null | null | null | null | 0 | 0 | null | CO_5841216124437387499213412 | 5841216124437387499213412560484872878410228466788301753389308898861365469358323337135801208145442053262206085207377412053137052533263764877423351531185181 | 4478522288260326079821215356567916339824829595871234588349198711422946595204982453253710298415235128023026783005686616407897484103008236902602638608972939 | [
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[
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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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3.0087
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[
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0
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[
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[
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],
[
1.3724,
4.06218,
1.50435
],
[
4.11721,
4.06218,... | [
true,
true,
true
] | In4P4 | InP | AB | [
"In",
"P"
] | [
0.5,
0.5
] | [
49,
49,
49,
49,
15,
15,
15,
15
] | 8 | 2 | 3 | [
1,
1,
1
] | [
"Strain/InP_strain_161"
] | null | data/MD/5165/MD_7964639482890510039065165.json | null | null | null | {"input": {"encut": {"value": 500, "units": "eV"}}, "hash": "7964639482890510039065165051658847026093934348828101062120947938162970662739496050937512370254508847409185916777813992712077345296435453266837166248028598", "id": "MD_7964639482890510039065165"} |
PO_5036282398742772654852744 | 5036282398742772654852744576197757253153837998621737791891309954270092165482192242660628504516035482719797882248709433877184668095931556883280498843818387 | 2025-04-16T18:44:20 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -311.740473 | [
[
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0.068602,
0.068602
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[
0.068602,
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[
0.068602,
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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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],
[
0.0006085284152462401,
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]
] | null | null | null | null | null | null | 0.278031 | 0.083318 | null | CO_3282374703820399382304459 | 3282374703820399382304459102289900013701764069807782144604817920168705131331993854138854559826619271723455209153782997234009285850449929242673734459698728 | 7232457985949888001991439273147545646009054954971600067105018083640738690876736940133484463015036055577527767474265626519747556207858067889181175473750386 | [
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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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],
[
0.12394,
0.12394,
0.12394
],
... | [
true,
true,
true
] | In32P33 | In32P33 | A33B32 | [
"In",
"P"
] | [
0.49230769230769234,
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15,
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15,
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15,
15,
15,
15,
15,
15,
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... | 65 | 2 | 3 | [
1,
1,
1
] | [
"s_iP/iP_0_TipTd_tiA_sc3k2cl_d0lda43"
] | null | data/MD/5165/MD_7964639482890510039065165.json | null | null | null | {"input": {"encut": {"value": 500, "units": "eV"}}, "hash": "7964639482890510039065165051658847026093934348828101062120947938162970662739496050937512370254508847409185916777813992712077345296435453266837166248028598", "id": "MD_7964639482890510039065165"} |
PO_5053383863101971381579951 | 5053383863101971381579951772419293752684212775528737544806692356112893506353675220030890930040104787191725139615913181652975139146195233920480909516046438 | 2025-04-17T18:26:41 | DS_03ph25s4yepy_0 | 1 | VASP | DFT-LDA | -18.660501 | [
[
1.972023,
0.014845,
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],
[
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[
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[
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[
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10.906473
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[
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[
... | [
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[
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],
[
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0.2984953305342851
]
] | null | null | null | null | null | null | 11.083332 | 11.083332 | null | CO_1021162235565692893903000 | 10211622355656928939030002770983119402886978227360853245263745681812060265849904713951614685092562946430229767734865988431719375858196792298873635175872663 | 6448960483993253429817698349959932991857198448052197350465586637902192160390610912253985029249195336166507514044727961820228455018970055096649067999755715 | [
[
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[
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[
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] | [
[
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[
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],
[
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3.01421
],
[
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[
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[
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1.80415
],
[
1.4625,
5.85027,
1.69533
],
[
4.3875,
8.... | [
true,
true,
true
] | In4P4 | InP | AB | [
"In",
"P"
] | [
0.5,
0.5
] | [
49,
49,
49,
49,
15,
15,
15,
15
] | 8 | 2 | 3 | [
1,
1,
1
] | [
"Shear/InP_shear_1021"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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