{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.563951 0.9225225 1.195567 ] [ 1.348432 0.3073599 2.755625 ] [ 0.2422324 2.903648 2.041824 ] [ 2.040932 0.0344744 0.838059 ] [ 2.055265 2.344707 1.01543 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.63951e-11 9.225225000000001e-11 1.195567e-10 ] [ 1.348432e-10 3.073599e-11 2.755625000000001e-10 ] [ 2.422324e-11 2.903648e-10 2.041824e-10 ] [ 2.040932e-10 3.447440000000001e-12 8.38059e-11 ] [ 2.055265e-10 2.344707e-10 1.01543e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -50.1388993 13.4183229 -14.1298892 ] [ -3.704372 -5.0744506 54.1774643 ] [ -9.5644732 13.4246907 9.6074619 ] [ 49.2351966 -36.745455 -42.7646078 ] [ 14.1725479 14.9768919 -6.8904291 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.033137291293895e-08 2.149852341784711e-08 -2.263857831724895e-08 ] [ -5.935058262043848e-09 -8.130166181707279e-09 8.680186739082915e-08 ] [ -1.532397547755921e-08 2.15087257582171e-08 1.539285096822525e-08 ] [ 7.888348156291624e-08 -5.887270940669847e-08 -6.851645537933414e-08 ] [ 2.270692508962577e-08 2.399562625212386e-08 -1.103968450225365e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 19.390808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.106749949198027e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2501626 1.3025423 1.569301 ] [ 1.1277829 0.1012333 3.6040006 ] [ -0.7240692 2.5751819 1.2848387 ] [ 1.4757603 -0.2161773 -0.2308987 ] [ 3.1211758 2.7499316 1.6192634 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2501626e-10 1.3025423e-10 1.569301e-10 ] [ 1.1277829e-10 1.012333e-11 3.6040006e-10 ] [ -7.240692e-11 2.5751819e-10 1.2848387e-10 ] [ 1.4757603e-10 -2.161773e-11 -2.308987e-11 ] [ 3.1211758e-10 2.7499316e-10 1.6192634e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-07 -5e-07 1e-07 ] [ 1.14e-05 9e-06 4e-07 ] [ -0.0 -8.6e-06 -1.09e-05 ] [ -1.15e-05 7.9e-06 -1.7e-06 ] [ -3e-07 -7.7e-06 1.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883169999999e-16 -8.010883169999999e-16 1.602176634e-16 ] [ 1.82648136276e-14 1.4419589706e-14 6.408706536e-16 ] [ 0.0 -1.37787190524e-14 -1.74637253106e-14 ] [ -1.8425031291e-14 1.26571954086e-14 -2.7237002778e-15 ] [ -4.806529901999999e-16 -1.23367600818e-14 1.95465549348e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.595203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.33840932150867e-18 } }