{ "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" [ [ -1.9930998 0.277639 0.3758597 ] [ 1.1301148 -0.98133 -1.0302382 ] [ -0.2476699 -0.2174158 2.8046734 ] [ -1.785179 -1.8335482 2.4040983 ] [ 1.7558319 2.7297402 -0.2956878 ] [ -1.1227315 0.390514 -0.1606903 ] [ 0.7734557 -0.3883109 -2.1693035 ] [ 1.4892777 0.0227117 -1.9287116 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.193297902481156e-09 4.448267148222913e-10 6.021936240409017e-10 ] [ 1.810643511380068e-09 -1.572263983289664e-09 -1.650623557895075e-09 ] [ -3.968109234558739e-10 -3.483385117525286e-10 4.493582150459646e-09 ] [ -2.860172057743123e-09 -2.937668059149923e-09 3.851790090365025e-09 ] [ 2.813152820234844e-09 4.373525929297916e-09 -4.737440802157862e-10 ] [ -1.798814160735715e-09 6.256724008950911e-10 -2.574542418493382e-10 ] [ 1.239212639764499e-09 -6.221426455818068e-10 -3.475607351119613e-09 ] [ 2.386085912818796e-09 3.638815475862336e-11 -3.090136633785761e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.007984 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.769115012694047e-18 } }