{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.48715e-10 0.0 0.0 ] "source-value" [ 5.48715 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] "source-value" [ 0.0853536 5.45185 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] "source-value" [ -0.0925937 0.0373061 5.50955 ] } "species" { "source-value" [ "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" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.421528803539869e-09 -4.313237304798509e-10 6.136165024765575e-10 ] [ 1.002102516210755e-09 -9.129995462745697e-10 -6.693440505718715e-10 ] [ -1.439017362444211e-10 -6.970878215906305e-11 2.439737680884202e-09 ] [ -1.734321104348005e-09 -1.973280139722152e-09 2.046249671739867e-09 ] [ 1.568335766650787e-09 2.647009347705153e-09 -4.435106869459661e-10 ] [ -1.080375252843318e-09 5.647536403307233e-10 -3.422512018994611e-10 ] [ 4.573464433725466e-10 -4.345825577265581e-10 -1.872864040448836e-09 ] [ 1.352342330959187e-09 6.101319285439796e-10 -1.771633875234492e-09 ] ] "source-value" [ [ -0.8872485 -0.2692111 0.3829893 ] [ 0.6254632 -0.5698495 -0.4177717 ] [ -0.0898164 -0.0435088 1.5227645 ] [ -1.0824781 -1.2316246 1.2771686 ] [ 0.9788782 1.6521333 -0.2768176 ] [ -0.6743172 0.3524915 -0.2136164 ] [ 0.2854532 -0.2712451 -1.1689498 ] [ 0.8440657 0.3808144 -1.1057669 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.116926608893437e-18 "source-value" -25.695835 } }