{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.0411e-09 0.0 0.0 ] "source-value" [ 10.411 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.294380000000001e-10 9.210660000000001e-10 0.0 ] "source-value" [ -5.29438 9.21066 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.25117e-11 -6.75308e-12 1.02123e-09 ] "source-value" [ -0.225117 -0.0675308 10.2123 ] } "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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0.2843223 ] [ -0.1150438 0.2993234 -1.0778947 ] [ 1.9334319 -5.7891143 4.1940032 ] [ 0.0540644 0.3248875 -2.6353897 ] [ -2.6032795 -0.1146046 -0.4975156 ] [ 0.931631 1.912168 -3.1683427 ] [ 5.7897763 6.0628431 -9.2363062 ] [ 1.4474196 -2.3865061 -0.4650874 ] [ 4.679725 -0.2153396 10.843146 ] [ 3.2400707 1.2402996 0.4403978 ] [ 2.6436411 1.053746 -11.3282497 ] [ 4.176563 -0.2038924 -0.4844473 ] [ -0.0363715 2.185939 11.5504672 ] [ 0.2880738 -1.9485465 -3.1486932 ] [ -0.1478318 -0.4003918 -9.8445564 ] [ 0.0 0.0 0.0 ] [ 12.1585061 0.7662886 11.4226791 ] [ 5.8623179 11.3385273 7.6321313 ] [ -0.6150838 1.5401263 -14.5954994 ] [ -5.0907967 1.7881665 3.5878691 ] [ 0.2432359 0.8852501 -0.2093054 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.2644e-12 -3.48865e-11 2.6211699999999998e-11 ] [ 8.95591e-12 9.19407e-12 2.92005e-10 ] [ 1.32511e-11 8.77004e-12 5.197700000000001e-10 ] [ -3.87306e-11 -5.7964700000000005e-11 7.71063e-10 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5.18682 ] [ 3.70294 6.72284 8.16498 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.144314709143243e-17 "source-value" -71.422507 } }