# Fileset [phono3py_mlp_eval_fc3_disp.yaml.xz](https://mdr.nims.go.jp/filesets/c5d9f486-e023-4b20-baba-706345bd4c86/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Rb2P3 / Fmmm (69) / materials id 2079](https://mdr.nims.go.jp/datasets/e5f62e4d-f843-4b51-9535-92a0b01d59c8) ## Fulltext phono3py: version: "3.21.0" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "Fmmm" number: 69 Hall_symbol: "-F 2 2"primitive_matrix:- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 0.000000000000000, 4.804697300000001, 7.297192265000000 ] # a - 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atom: 69 pair_distance: 5.55409765 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1245, 1246, 1247, 1248 ] - atom: 70 pair_distance: 10.52923422 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1249, 1250, 1251, 1252 ] - atom: 77 pair_distance: 3.43856718 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1253, 1254, 1255, 1256 ] - atom: 78 pair_distance: 9.58334581 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1257, 1258, 1259, 1260 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_id: 6 paired_with: - atom: 1 pair_distance: 0.00000000 displacements: - [ 0.0071538580335521, 0.0038425173222876, 0.0058358697606872 ] - [ -0.0071538580335521, -0.0038425173222876, -0.0058358697606872 ] displacement_ids: [ 1261, 1262 ] - atom: 2 pair_distance: 8.94520948 displacements: - [ 0.0071538580335521, 0.0038425173222876, 0.0058358697606872 ] - [ -0.0071538580335521, -0.0038425173222876, -0.0058358697606872 ] displacement_ids: [ 1263, 1264 ] - atom: 3 pair_distance: 5.36047761 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - 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atom: 8 pair_distance: 6.81303205 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1437, 1438, 1439, 1440 ] - atom: 9 pair_distance: 5.19281168 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1441, 1442, 1443, 1444 ] - atom: 10 pair_distance: 9.67931314 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1445, 1446, 1447, 1448 ] - atom: 11 pair_distance: 5.21562607 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1449, 1450, 1451, 1452 ] - atom: 12 pair_distance: 3.72958341 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1453, 1454, 1455, 1456 ] - atom: 13 pair_distance: 10.56966986 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1457, 1458, 1459, 1460 ] - atom: 14 pair_distance: 8.06616720 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1461, 1462, 1463, 1464 ] - atom: 15 pair_distance: 6.35996446 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1465, 1466, 1467, 1468 ] - atom: 16 pair_distance: 8.59133592 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1469, 1470, 1471, 1472 ] - atom: 17 pair_distance: 8.73694060 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1473, 1474, 1475, 1476 ] - atom: 18 pair_distance: 12.50403550 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1477, 1478, 1479, 1480 ] - atom: 19 pair_distance: 6.90980963 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1481, 1482, 1483, 1484 ] - atom: 20 pair_distance: 6.90980963 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1485, 1486, 1487, 1488 ] - atom: 21 pair_distance: 5.31914999 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1489, 1490, 1491, 1492 ] - atom: 22 pair_distance: 9.74767492 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1493, 1494, 1495, 1496 ] - atom: 23 pair_distance: 10.17530768 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1497, 1498, 1499, 1500 ] - atom: 24 pair_distance: 9.49968018 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1501, 1502, 1503, 1504 ] - atom: 25 pair_distance: 6.73061497 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1505, 1506, 1507, 1508 ] - atom: 26 pair_distance: 8.86922109 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1509, 1510, 1511, 1512 ] - atom: 27 pair_distance: 7.79074187 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1513, 1514, 1515, 1516 ] - atom: 28 pair_distance: 3.74710437 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1517, 1518, 1519, 1520 ] - atom: 29 pair_distance: 8.55880880 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1521, 1522, 1523, 1524 ] - atom: 30 pair_distance: 8.55880880 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1525, 1526, 1527, 1528 ] - atom: 31 pair_distance: 2.15781365 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1529, 1530, 1531, 1532 ] - atom: 32 pair_distance: 9.20178963 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1533, 1534, 1535, 1536 ] - atom: 33 pair_distance: 5.64437021 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1537, 1538, 1539, 1540 ] - atom: 34 pair_distance: 4.30882260 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1541, 1542, 1543, 1544 ] - atom: 35 pair_distance: 7.33492302 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1545, 1546, 1547, 1548 ] - atom: 36 pair_distance: 10.97838355 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1549, 1550, 1551, 1552 ] - atom: 37 pair_distance: 5.57485061 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1553, 1554, 1555, 1556 ] - atom: 38 pair_distance: 8.02750672 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1557, 1558, 1559, 1560 ] - atom: 39 pair_distance: 9.46552415 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1561, 1562, 1563, 1564 ] - atom: 40 pair_distance: 6.55295961 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1565, 1566, 1567, 1568 ] - atom: 41 pair_distance: 6.56424476 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1569, 1570, 1571, 1572 ] - atom: 42 pair_distance: 6.56424476 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1573, 1574, 1575, 1576 ] - atom: 43 pair_distance: 7.03550486 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1577, 1578, 1579, 1580 ] - atom: 44 pair_distance: 11.38047017 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1581, 1582, 1583, 1584 ] - atom: 45 pair_distance: 8.75791550 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1585, 1586, 1587, 1588 ] - atom: 46 pair_distance: 7.96292164 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1589, 1590, 1591, 1592 ] - atom: 47 pair_distance: 4.86181004 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1593, 1594, 1595, 1596 ] - atom: 48 pair_distance: 9.50584066 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1597, 1598, 1599, 1600 ] - atom: 49 pair_distance: 3.53731570 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - 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[ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1721, 1722, 1723, 1724 ] - atom: 8 pair_distance: 6.81303205 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1725, 1726, 1727, 1728 ] - atom: 9 pair_distance: 5.19281168 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1729, 1730, 1731, 1732 ] - atom: 10 pair_distance: 9.67931314 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1733, 1734, 1735, 1736 ] - atom: 11 pair_distance: 5.21562607 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1737, 1738, 1739, 1740 ] - atom: 12 pair_distance: 3.72958341 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1741, 1742, 1743, 1744 ] - atom: 13 pair_distance: 10.56966986 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1745, 1746, 1747, 1748 ] - atom: 14 pair_distance: 8.06616720 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1749, 1750, 1751, 1752 ] - atom: 15 pair_distance: 6.35996446 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1753, 1754, 1755, 1756 ] - atom: 16 pair_distance: 8.59133592 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1757, 1758, 1759, 1760 ] - atom: 17 pair_distance: 8.73694060 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1761, 1762, 1763, 1764 ] - atom: 18 pair_distance: 12.50403550 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1765, 1766, 1767, 1768 ] - atom: 19 pair_distance: 6.90980963 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1769, 1770, 1771, 1772 ] - atom: 20 pair_distance: 6.90980963 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1773, 1774, 1775, 1776 ] - atom: 21 pair_distance: 5.31914999 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1777, 1778, 1779, 1780 ] - atom: 22 pair_distance: 9.74767492 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1781, 1782, 1783, 1784 ] - atom: 23 pair_distance: 10.17530768 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1785, 1786, 1787, 1788 ] - atom: 24 pair_distance: 9.49968018 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1789, 1790, 1791, 1792 ] - atom: 25 pair_distance: 6.73061497 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1793, 1794, 1795, 1796 ] - atom: 26 pair_distance: 8.86922109 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1797, 1798, 1799, 1800 ] - atom: 27 pair_distance: 7.79074187 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1801, 1802, 1803, 1804 ] - atom: 28 pair_distance: 3.74710437 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1805, 1806, 1807, 1808 ] - atom: 29 pair_distance: 8.55880880 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1809, 1810, 1811, 1812 ] - atom: 30 pair_distance: 8.55880880 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1813, 1814, 1815, 1816 ] - atom: 31 pair_distance: 2.15781365 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1817, 1818, 1819, 1820 ] - atom: 32 pair_distance: 9.20178963 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1821, 1822, 1823, 1824 ] - atom: 33 pair_distance: 5.64437021 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1825, 1826, 1827, 1828 ] - atom: 34 pair_distance: 4.30882260 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1829, 1830, 1831, 1832 ] - atom: 35 pair_distance: 7.33492302 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1833, 1834, 1835, 1836 ] - atom: 36 pair_distance: 10.97838355 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1837, 1838, 1839, 1840 ] - atom: 37 pair_distance: 5.57485061 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1841, 1842, 1843, 1844 ] - atom: 38 pair_distance: 8.02750672 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1845, 1846, 1847, 1848 ] - atom: 39 pair_distance: 9.46552415 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1849, 1850, 1851, 1852 ] - atom: 40 pair_distance: 6.55295961 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1853, 1854, 1855, 1856 ] - atom: 41 pair_distance: 6.56424476 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1857, 1858, 1859, 1860 ] - atom: 42 pair_distance: 6.56424476 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1861, 1862, 1863, 1864 ] - atom: 43 pair_distance: 7.03550486 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1865, 1866, 1867, 1868 ] - atom: 44 pair_distance: 11.38047017 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1869, 1870, 1871, 1872 ] - atom: 45 pair_distance: 8.75791550 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1873, 1874, 1875, 1876 ] - atom: 46 pair_distance: 7.96292164 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1877, 1878, 1879, 1880 ] - atom: 47 pair_distance: 4.86181004 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1881, 1882, 1883, 1884 ] - atom: 48 pair_distance: 9.50584066 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1885, 1886, 1887, 1888 ] - atom: 49 pair_distance: 3.53731570 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1889, 1890, 1891, 1892, 1893, 1894 ] - atom: 50 pair_distance: 9.26730239 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1895, 1896, 1897, 1898, 1899, 1900 ] - atom: 53 pair_distance: 3.54078623 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1901, 1902, 1903, 1904, 1905, 1906 ] - atom: 54 pair_distance: 6.77488539 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1907, 1908, 1909, 1910, 1911, 1912 ] - atom: 57 pair_distance: 5.31588031 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1913, 1914, 1915, 1916, 1917, 1918 ] - atom: 58 pair_distance: 10.08111475 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1919, 1920, 1921, 1922, 1923, 1924 ] - atom: 61 pair_distance: 7.25102049 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1925, 1926, 1927, 1928, 1929, 1930 ] - atom: 62 pair_distance: 9.27033996 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1931, 1932, 1933, 1934, 1935, 1936 ] - atom: 65 pair_distance: 7.18234066 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1937, 1938, 1939, 1940, 1941, 1942 ] - atom: 66 pair_distance: 6.70369569 displacements: - [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 1943, 1944, 1945, 1946, 1947, 1948 ] - 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atom: 10 pair_distance: 9.67931314 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2981, 2982, 2983, 2984 ] - atom: 11 pair_distance: 5.21562607 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2985, 2986, 2987, 2988 ] - atom: 12 pair_distance: 3.72958341 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2989, 2990, 2991, 2992 ] - atom: 13 pair_distance: 10.56966986 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2993, 2994, 2995, 2996 ] - atom: 14 pair_distance: 8.06616720 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 2997, 2998, 2999, 3000 ] - atom: 15 pair_distance: 6.35996446 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3001, 3002, 3003, 3004 ] - atom: 16 pair_distance: 8.59133592 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3005, 3006, 3007, 3008 ] - atom: 17 pair_distance: 8.73694060 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3009, 3010, 3011, 3012 ] - atom: 18 pair_distance: 12.50403550 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3013, 3014, 3015, 3016 ] - atom: 19 pair_distance: 6.90980963 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3017, 3018, 3019, 3020 ] - atom: 20 pair_distance: 6.90980963 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3021, 3022, 3023, 3024 ] - atom: 21 pair_distance: 5.31914999 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3025, 3026, 3027, 3028 ] - atom: 22 pair_distance: 9.74767492 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3029, 3030, 3031, 3032 ] - atom: 23 pair_distance: 10.17530768 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3033, 3034, 3035, 3036 ] - atom: 24 pair_distance: 9.49968018 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3037, 3038, 3039, 3040 ] - atom: 25 pair_distance: 6.73061497 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3041, 3042, 3043, 3044 ] - atom: 26 pair_distance: 8.86922109 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3045, 3046, 3047, 3048 ] - atom: 27 pair_distance: 7.79074187 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3049, 3050, 3051, 3052 ] - atom: 28 pair_distance: 3.74710437 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3053, 3054, 3055, 3056 ] - atom: 29 pair_distance: 8.55880880 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3057, 3058, 3059, 3060 ] - atom: 30 pair_distance: 8.55880880 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3061, 3062, 3063, 3064 ] - atom: 31 pair_distance: 2.15781365 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3065, 3066, 3067, 3068 ] - atom: 32 pair_distance: 9.20178963 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3069, 3070, 3071, 3072 ] - atom: 33 pair_distance: 5.64437021 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3073, 3074, 3075, 3076 ] - atom: 34 pair_distance: 4.30882260 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3077, 3078, 3079, 3080 ] - atom: 35 pair_distance: 7.33492302 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3081, 3082, 3083, 3084 ] - atom: 36 pair_distance: 10.97838355 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3085, 3086, 3087, 3088 ] - atom: 37 pair_distance: 5.57485061 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3089, 3090, 3091, 3092 ] - atom: 38 pair_distance: 8.02750672 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3093, 3094, 3095, 3096 ] - atom: 39 pair_distance: 9.46552415 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3097, 3098, 3099, 3100 ] - atom: 40 pair_distance: 6.55295961 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3101, 3102, 3103, 3104 ] - atom: 41 pair_distance: 6.56424476 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3105, 3106, 3107, 3108 ] - atom: 42 pair_distance: 6.56424476 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3109, 3110, 3111, 3112 ] - 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atom: 10 pair_distance: 9.67931314 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3269, 3270, 3271, 3272 ] - atom: 11 pair_distance: 5.21562607 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3273, 3274, 3275, 3276 ] - atom: 12 pair_distance: 3.72958341 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3277, 3278, 3279, 3280 ] - atom: 13 pair_distance: 10.56966986 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3281, 3282, 3283, 3284 ] - atom: 14 pair_distance: 8.06616720 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3285, 3286, 3287, 3288 ] - atom: 15 pair_distance: 6.35996446 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3289, 3290, 3291, 3292 ] - atom: 16 pair_distance: 8.59133592 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3293, 3294, 3295, 3296 ] - atom: 17 pair_distance: 8.73694060 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3297, 3298, 3299, 3300 ] - atom: 18 pair_distance: 12.50403550 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3301, 3302, 3303, 3304 ] - atom: 19 pair_distance: 6.90980963 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3305, 3306, 3307, 3308 ] - atom: 20 pair_distance: 6.90980963 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3309, 3310, 3311, 3312 ] - atom: 21 pair_distance: 5.31914999 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3313, 3314, 3315, 3316 ] - atom: 22 pair_distance: 9.74767492 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3317, 3318, 3319, 3320 ] - atom: 23 pair_distance: 10.17530768 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3321, 3322, 3323, 3324 ] - atom: 24 pair_distance: 9.49968018 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3325, 3326, 3327, 3328 ] - atom: 25 pair_distance: 6.73061497 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3329, 3330, 3331, 3332 ] - atom: 26 pair_distance: 8.86922109 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3333, 3334, 3335, 3336 ] - atom: 27 pair_distance: 7.79074187 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3337, 3338, 3339, 3340 ] - atom: 28 pair_distance: 3.74710437 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3341, 3342, 3343, 3344 ] - atom: 29 pair_distance: 8.55880880 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3345, 3346, 3347, 3348 ] - atom: 30 pair_distance: 8.55880880 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3349, 3350, 3351, 3352 ] - atom: 31 pair_distance: 2.15781365 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3353, 3354, 3355, 3356 ] - atom: 32 pair_distance: 9.20178963 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3357, 3358, 3359, 3360 ] - atom: 33 pair_distance: 5.64437021 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3361, 3362, 3363, 3364 ] - atom: 34 pair_distance: 4.30882260 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3365, 3366, 3367, 3368 ] - atom: 35 pair_distance: 7.33492302 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3369, 3370, 3371, 3372 ] - atom: 36 pair_distance: 10.97838355 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3373, 3374, 3375, 3376 ] - atom: 37 pair_distance: 5.57485061 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3377, 3378, 3379, 3380 ] - atom: 38 pair_distance: 8.02750672 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3381, 3382, 3383, 3384 ] - atom: 39 pair_distance: 9.46552415 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3385, 3386, 3387, 3388 ] - atom: 40 pair_distance: 6.55295961 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3389, 3390, 3391, 3392 ] - atom: 41 pair_distance: 6.56424476 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3393, 3394, 3395, 3396 ] - atom: 42 pair_distance: 6.56424476 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3397, 3398, 3399, 3400 ] - 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atom: 46 pair_distance: 7.96292164 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3413, 3414, 3415, 3416 ] - atom: 47 pair_distance: 4.86181004 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3417, 3418, 3419, 3420 ] - atom: 48 pair_distance: 9.50584066 displacements: - [ 0.0088096205879444, 0.0047318690912223, 0.0000000000000000 ] - [ -0.0088096205879444, -0.0047318690912223, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] displacement_ids: [ 3421, 3422, 3423, 3424 ] - 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