{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2674765 2.4068565 2.9993895 ] [ -0.2725485 2.0744777 0.0706323 ] [ 0.9793319 -2.3023169 -3.7413685 ] [ 1.0128025 -0.3283436 -1.1117538 ] [ 0.0655089 0.0945996 1.0469567 ] [ 0.8762181 -1.522718 -0.436997 ] [ -0.3443091 1.4312459 2.9147444 ] [ -1.0495273 -1.8538012 -1.7416038 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.0307212324441e-09 3.856209245691021e-09 4.805551773164942e-09 ] [ -4.36670838331749e-10 3.323679698694062e-09 1.131654206656782e-10 ] [ 1.569062687110825e-09 -3.688718341243315e-09 -5.994333189883629e-09 ] [ 1.622688500356785e-09 -5.260644438434424e-10 -1.781225961120709e-09 ] [ 1.049568288990426e-10 1.515652687057464e-10 1.677409561549748e-09 ] [ 1.403856166107875e-09 -2.439663199771212e-09 -7.00146382528098e-10 ] [ -5.516439948935693e-10 2.2931087384883e-09 4.669935371762349e-09 ] [ -1.681528116805108e-09 -2.97011696672116e-09 -2.790356914045609e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -333.32933 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.340524639528752e-17 } }