{ "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" [ 5.37283 0 0 ] "si-unit" "m" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.256601 5.36059 0 ] "si-unit" "m" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0433697 -0.246629 5.47376 ] "si-unit" "m" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00270324 -0.00280673 0.144383 ] [ 1.34461 1.35881 1.37149 ] [ -0.0221547 2.59799 2.84643 ] [ 1.34697 4.04373 4.10747 ] [ 2.75027 0.00909757 2.6523 ] [ 4.11164 1.31842 4.20835 ] [ 2.66226 2.78619 -0.017694 ] [ 3.99298 4.09333 1.38778 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70324e-13 -2.80673e-13 1.44383e-11 ] [ 1.34461e-10 1.35881e-10 1.37149e-10 ] [ -2.21547e-12 2.59799e-10 2.84643e-10 ] [ 1.34697e-10 4.04373e-10 4.10747e-10 ] [ 2.75027e-10 9.09757e-13 2.6523e-10 ] [ 4.11164e-10 1.31842e-10 4.20835e-10 ] [ 2.66226e-10 2.78619e-10 -1.7694e-12 ] [ 3.99298e-10 4.09333e-10 1.38778e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.5477103 7.5849369 -9.1780405 ] [ 0.6633908 0.912119 0.5896793 ] [ 1.291415 1.9208182 -1.9533635 ] [ -1.0767268 -1.282182 1.4260366 ] [ 1.2714643 0.9841958 -0.0779663 ] [ -0.0939929 -3.4577921 -0.058581 ] [ -1.6965633 1.5485224 1.3271831 ] [ -6.9066974 -8.2106182 7.9250522 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.049058836243135e-08 1.215240857142323e-08 -1.470484191385554e-08 ] [ 1.062869230213809e-09 1.461375737187475e-09 9.447703882297095e-10 ] [ 2.069074920750432e-09 3.077490012847139e-09 -3.129633331624061e-09 ] [ -1.725106505948798e-09 -2.054282024010586e-09 2.284762500925122e-09 ] [ 2.037110375641837e-09 1.576855501049552e-09 -1.24915783070279e-10 ] [ -1.505932269011923e-10 -5.539993662206935e-09 -9.38571086230848e-11 ] [ -2.718194054967297e-09 2.481006386065106e-09 2.126381734340869e-09 ] [ -1.106574910122015e-08 -1.315486052235498e-08 1.269733335345961e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -63.297407 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.014136256526623e-17 } }