{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05393e-09 0.0 0.0 ] "source-value" [ 10.5393 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.438869999999999e-10 9.05087e-10 0.0 ] "source-value" [ -5.43887 9.05087 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.43218e-11 -1.14794e-11 1.05272e-09 ] "source-value" [ -0.143218 -0.114794 10.5272 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" 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] [ 0.2447916 2.3974641 -0.4034565 ] [ 2.2730606 0.071864 1.0332662 ] [ 0.273514 -0.4180591 -1.614706 ] [ 0.0787897 -0.2624524 1.5390687 ] [ -1.0012815 -2.7748283 1.3542303 ] [ -0.1002886 0.4985169 -0.2177809 ] [ -0.0397449 0.097881 -0.0833979 ] [ -0.5253676 0.4883465 0.5625645 ] [ -0.2417208 0.3065164 -0.6386248 ] [ 0.3106809 0.7646454 0.2793432 ] [ 0.3242089 -0.1387612 0.6139511 ] [ -0.3623599 0.4476783 -0.5022521 ] [ -0.4728695 0.2997918 0.8790026 ] [ -0.2151058 -0.1000452 -0.7799904 ] [ -0.1106735 -0.3015058 -0.3301451 ] [ 1.6529517 0.2399271 0.7735729 ] [ 2.0593495 0.780468 0.190527 ] [ -0.2916945 0.0869708 -0.8588768 ] [ -0.3303422 -0.0552905 -0.1295906 ] [ -0.0604351 0.1739106 -0.5817636 ] [ -0.3328546 0.6880881 0.6144633 ] [ 0.2810406 0.13108 0.3539726 ] [ -0.6361119 -0.0880335 0.0621343 ] [ -0.0052728 0.4899602 0.0896768 ] [ 0.6940172 2.1043077 -0.1609507 ] [ -0.2342197 -0.6105348 -0.1282923 ] [ -0.0324411 -0.028750100000000004 -1.2745405 ] [ 0.7273395 -0.2089178 0.6416803 ] [ 0.6682585 0.0152552 -0.1691058 ] [ 0.1244552 -0.0654424 0.6543968 ] [ 0.3823909 -0.9166423 -0.2392441 ] [ -0.9683491 0.1089031 0.1940379 ] [ -0.1192798 0.2166492 -0.4265266 ] [ 0.3705858 -0.6474004 0.4237124 ] [ -1.0511172 0.7560569 0.3035915 ] [ 0.0792473 0.279029 -0.1674776 ] [ -0.204014 0.0662852 0.3536026 ] [ -0.6510102 0.7748186 -0.6096912 ] [ 0.7179472 -0.0349669 -0.3160327 ] [ 0.5061541 0.366288 -0.4262649 ] [ -0.1987603 0.057815 -0.8117217 ] [ -0.2848002 -0.0810715 1.2156829 ] [ 0.0767672 -0.31148 -0.6244923 ] [ -1.6777263 0.1307732 0.7761664 ] [ -0.9162361 -1.1737294 0.7030789 ] [ 0.2287552 -0.7309483 -0.5988456 ] [ -0.0044457 0.4157576 0.0534466 ] [ 0.4522178 -0.1155487 -1.0987485 ] [ 0.0150425 0.1282461 1.4703194 ] [ -1.9790704 0.1858222 -1.1933208 ] [ 0.4776976 -0.1851564 0.0060673 ] [ 0.3452118 -0.2988169 -0.0175264 ] [ 0.456545 -0.2187425 -0.6301503 ] [ -0.0949112 -0.3141089 0.1715989 ] [ -0.0551063 0.2550308 -0.2081368 ] [ 0.1341416 -1.3149127 0.2715139 ] [ 0.5068745 0.1657466 0.2776899 ] [ 0.2322037 0.4678101 0.202232 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 4.94125e-12 -1.32091e-11 -1.11737e-11 ] [ -1.84353e-11 4.30984e-13 2.1810200000000002e-10 ] [ -1.1482000000000001e-11 3.8029400000000006e-11 5.25782e-10 ] [ -2.44788e-11 1.40152e-12 7.75205e-10 ] [ -1.34009e-10 2.2554699999999999e-10 9.20874e-13 ] [ -1.26592e-10 1.82964e-10 2.63403e-10 ] [ -1.6022000000000002e-10 2.11686e-10 4.861060000000001e-10 ] [ -1.6679600000000003e-10 2.1917900000000003e-10 8.112510000000001e-10 ] [ -2.4686e-10 4.6549500000000006e-10 -3.9812500000000003e-13 ] [ -2.7623700000000005e-10 4.7379e-10 2.1480500000000001e-10 ] [ -2.48563e-10 4.61278e-10 5.50478e-10 ] [ -2.70397e-10 4.5148000000000003e-10 8.08626e-10 ] [ -3.98412e-10 6.86221e-10 -4.28531e-12 ] [ -3.96331e-10 6.85194e-10 2.77309e-10 ] [ -4.2696e-10 6.9471e-10 5.55519e-10 ] [ -4.05263e-10 6.79882e-10 8.03872e-10 ] [ 2.63278e-10 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