{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3776586 8.1410784 -7.0298798 ] [ -0.1384351 0.435633 -3.3834583 ] [ 0.1354154 0.3700752 -2.8327917 ] [ -5.5556751 -0.9843241 6.8765298 ] [ 2.9528667 1.2686616 -6.5677738 ] [ 8.171003 -6.4788358 2.7485041 ] [ -2.9303616 3.5186253 7.0681466 ] [ -5.0124719 -6.2709136 3.120723 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.809429021164059e-09 1.304344548057987e-08 -1.126310906259418e-08 ] [ -2.217974807181101e-10 6.979610078489664e-10 -5.420897785711713e-09 ] [ 2.169593879762803e-10 5.929258333778841e-10 -4.538632633336287e-09 ] [ -8.901172757980702e-09 -1.577061060310001e-09 1.10174152777945e-08 ] [ 4.731013991078847e-09 2.032619955226721e-09 -1.052273363306278e-08 ] [ 1.309138997508666e-08 -1.038023924876206e-08 4.403589011192945e-09 ] [ -4.694956846010081e-09 5.637459193015386e-09 1.132441923490701e-08 ] [ -8.030865290596956e-09 -1.004711116097676e-08 4.999949430592838e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.67875 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.3517950072568e-18 } }