{ "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" [ [ -1.4388132 -1.0175332 0.9828797 ] [ 1.7987834 -1.7239928 -0.8424832 ] [ -0.0821275 0.1879661 3.8991279 ] [ -3.5873559 -4.13699 3.5635193 ] [ 2.9932868 5.1474521 -1.7079237 ] [ -1.5391817 0.818675 -0.868406 ] [ 0.2276949 -0.525411 -2.444006 ] [ 1.6277132 1.2498338 -2.582708 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.305232889730769e-09 -1.630267917359248e-09 1.57474688937293e-09 ] [ 2.881968733107075e-09 -2.762140981344235e-09 -1.349806897577549e-09 ] [ -1.31582761508835e-10 3.011548934041073e-10 6.247091614357488e-09 ] [ -5.74757780082204e-09 -6.628188713091659e-09 5.709387357268036e-09 ] [ 4.79577416982063e-09 8.247127479254231e-09 -2.736395444794825e-09 ] [ -2.466040955220398e-09 1.31166195583995e-09 -1.391339802025404e-09 ] [ 3.648074484609666e-10 -8.418012274465738e-10 -3.915729306555803e-09 ] [ 2.607884055893369e-09 2.002454510743429e-09 -4.137954410044871e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.795722 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.735106938555974e-18 } }