{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7602008 -0.7837398 -2.9899939 ] [ -0.2072967 0.1340071 1.1370781 ] [ -0.1092319 -0.8502683 -2.0406327 ] [ -1.8894895 -1.2822327 6.9490353 ] [ 2.1253299 0.8785626 -4.0917735 ] [ -1.4522053 1.0587156 4.1095219 ] [ 0.7990271 -0.4177222 -4.2957781 ] [ -0.0263343 1.2626777 1.2225428 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.217975948873457e-09 -1.255689584350468e-09 -4.790498322914613e-09 ] [ -3.321259263089914e-10 2.147030426412077e-10 1.821799947843685e-09 ] [ -1.750087964255635e-10 -1.362279991667361e-09 -3.26945400357998e-09 ] [ -3.027295902147082e-09 -2.05436325436526e-09 1.113358189477391e-08 ] [ 3.405153877267202e-09 1.407612457629262e-09 -6.55574383930899e-09 ] [ -2.32668938026185e-09 1.696249382396245e-09 6.584179910845596e-09 ] [ 1.280182539005624e-09 -6.692647428291417e-10 -6.882595239964644e-09 ] [ -4.219219978513345e-11 2.023032690545516e-09 1.95872949208737e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.017759 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.610463478260879e-18 } }