{ "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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1.1201533 -2.2376009 ] [ 0.4140599 -2.535833 0.0151198 ] [ -0.9361228 -0.056482 0.1247158 ] [ 1.9336045 -1.2414886 -0.5237395 ] [ 1.8739792 0.5655992 -0.5811006 ] [ -2.4998538 0.8485049 0.8391407 ] [ -0.3931757 1.1760659 0.5332779 ] [ -0.1563314 0.6291907 -0.3851121 ] [ 0.7674065 0.6266059 0.7155301 ] [ 0.3374321 1.4023496 -2.3007451 ] [ -1.846514 0.2857332 0.9344715 ] [ -0.5692032 1.2370559 0.7324484 ] [ 1.6833841 0.8053306 -0.5401309 ] [ 0.8477354 0.0511694 1.6490477 ] [ 0.2694166 0.9512484 2.0648592 ] [ -1.0639839 0.9880375 0.0138275 ] [ -0.7608088 -3.7903305 0.7260752 ] [ 0.8365428 0.751244 -1.9003978 ] [ 1.4825527 -2.0361596 2.4115524 ] [ -1.1439692 -2.665203 -2.3177299 ] [ 0.8604424 -1.5222259 0.4132794 ] [ -3.5000376 -0.6246704 -2.0487399 ] [ -1.3433884 1.3792347 1.9102129 ] [ 0.1070341 -0.8138899 -0.2663248 ] [ -1.4716109 -0.0036070999999999994 0.2540819 ] [ -1.0955083 1.8217462 -0.8840229 ] [ 0.5391005 0.1668689 1.043426 ] [ -0.3044406 -0.3635567 -0.8288583 ] [ -0.8865075 0.4974444 0.4544025 ] [ -0.2243218 -0.3171667 -3.1423172 ] ] } "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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