{ "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" [ [ -1.2708292 -0.092501 0.3694827 ] [ 0.9082513 -0.8314238 -0.7289179 ] [ -0.176891 -0.0697972 2.1919998 ] [ -1.6562174 -1.7966029 1.9883411 ] [ 1.5051653 2.4252855 -0.4812769 ] [ -0.8342953 0.3731791 -0.2084446 ] [ 0.4343411 -0.3003947 -1.5930181 ] [ 1.0904752 0.2922551 -1.538166 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.036092850044913e-09 -1.48202940821634e-10 5.919765486072317e-10 ] [ 1.455179010660124e-09 -1.332087785311489e-09 -1.167855227484349e-09 ] [ -2.83410626964894e-10 -1.118274429586248e-10 3.511970861292673e-09 ] [ -2.653552819104232e-09 -2.878475186956638e-09 3.185673650841857e-09 ] [ 2.4115406739676e-09 3.885735758879006e-09 -7.710906036639545e-10 ] [ -1.33668843551602e-09 5.978988343171493e-10 -3.339650676034764e-10 ] [ 6.958911616058573e-10 -4.812853693174398e-10 -2.552296377359075e-09 ] [ 1.747133885396477e-09 4.682442923873333e-10 -2.464413624413244e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.207777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.801125427848261e-18 } }