{ "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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[ -0.7151617 -1.0007997 -0.0623396 ] [ 2.4448987 1.7693071 3.580239 ] [ 1.5779469 -2.9403256 -0.9545708 ] [ -3.7065962 1.9929869 3.5019501 ] [ 0.2055268 -0.1856797 -2.4007946 ] [ 1.3485054 -1.7174629 -0.2479314 ] [ -1.9086223 2.45771 -0.3392411 ] [ 0.2567744 -0.3248318 1.147914 ] [ -0.3550217 1.6824067 -0.9020272 ] [ -2.1510611 0.4913019 -0.2450615 ] [ 4.337111 0.42632 0.7208046 ] [ 2.7139977 -1.3310355 0.6643278 ] [ -1.7076316 -0.9709093 -3.9783749 ] [ -2.3912934 -0.03665879999999999 3.6595823 ] [ 0.663997 -1.6366734 -1.9753838 ] [ -4.8338595 0.9474482 2.9021425 ] [ -3.5875281 -4.6746571 0.0812601 ] [ 0.2716457 -1.0235312 -0.5325285 ] [ -1.3701457 1.7905377 -0.4807318 ] [ 1.9469859 1.0027622 -2.9144526 ] [ -0.7377418 1.0351184 3.6750833 ] [ -6.6979424 -0.9015071 -1.4934313 ] [ 1.7269082 -2.6894067 2.572735 ] [ 1.0906574 -1.1576833 -2.2548859 ] [ 0.9067232 -0.2055773 -0.9118217 ] [ -1.3139501 -3.3536647 0.5127012 ] [ -0.1441301 2.3274856 -0.9509307 ] [ 0.6538996 -4.3898288 -0.0282994 ] [ 1.583988 -0.7542844 0.0411496 ] [ 0.7242217 1.2607959 0.718934 ] ] } "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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