{ "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" [ 5.44188 0 0 ] "si-unit" "m" "si-value" [ 5.44188e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0681259 5.43851 0 ] "si-unit" "m" "si-value" [ -6.812590000000001e-12 5.43851e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00252152 -0.017859 5.5414 ] "si-unit" "m" "si-value" [ -2.52152e-13 -1.7859e-12 5.5414e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00431502 -0.0137584 0.0307734 ] [ 1.33409 1.32426 1.37744 ] [ 0.0396224 2.60036 2.83022 ] [ 1.35045 4.04355 3.98016 ] [ 2.67673 0.013858 2.80413 ] [ 4.08887 1.41719 3.918 ] [ 2.72143 2.70354 0.017408 ] [ 3.9766 4.07774 1.36794 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.31502e-13 -1.37584e-12 3.07734e-12 ] [ 1.33409e-10 1.32426e-10 1.37744e-10 ] [ 3.962240000000001e-12 2.60036e-10 2.83022e-10 ] [ 1.35045e-10 4.04355e-10 3.98016e-10 ] [ 2.67673e-10 1.3858e-12 2.80413e-10 ] [ 4.08887e-10 1.41719e-10 3.918e-10 ] [ 2.72143e-10 2.70354e-10 1.7408e-12 ] [ 3.9766e-10 4.077740000000001e-10 1.36794e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2629731 -0.0032982 -1.6445381 ] [ 0.3799257 0.0383495 0.0980223 ] [ -0.0598567 1.7820828 -2.7573171 ] [ -0.3881018 -0.1271254 2.8977051 ] [ 0.5921725 -0.0147901 -1.9170804 ] [ -0.7454589 -1.4088927 3.6355507 ] [ -0.3773587 -0.053401 -1.3124747 ] [ 0.8616511 -0.212925 1.0001321 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.213293527193005e-10 -5.28429893072256e-12 -2.634840495834853e-09 ] [ 6.087080741810745e-10 6.14426723193696e-11 1.570490373770439e-10 ] [ -9.590100533823935e-11 2.855211398489802e-09 -4.417708993752056e-09 ] [ -6.218076304503974e-10 -2.036773437898483e-10 4.642635365192927e-09 ] [ 9.48764934980688e-10 -2.369635243929408e-11 -3.071501397073912e-09 ] [ -1.194356821347285e-09 -2.257294945155788e-09 5.824794335273075e-09 ] [ -6.045952867954809e-10 -8.55578337273408e-11 -2.102816279731494e-09 ] [ 1.380517247706603e-09 -3.4114345698384e-10 1.602388268331608e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.756001 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.645913278510143e-18 } }