{ "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" [ [ 2.146483 1.678803 1.689789 ] [ 0.9939717 3.024801 3.865516 ] [ 2.198915 3.863733 1.927968 ] [ 4.22715 2.33689 1.172014 ] [ 3.633184 2.755923 3.714191 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.146483e-10 1.678803e-10 1.689789e-10 ] [ 9.939717000000001e-11 3.024801e-10 3.865516e-10 ] [ 2.198915e-10 3.863733e-10 1.927968e-10 ] [ 4.22715e-10 2.33689e-10 1.172014e-10 ] [ 3.633184e-10 2.755923e-10 3.714191e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3733572 -6.2594839 0.6800613 ] [ 0.0109986 -0.835613 0.1311057 ] [ 0.02079 6.2471194 -0.9497264 ] [ 3.6922834 1.07437 -0.965671 ] [ 0.6492852 -0.2263925 1.1042304 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.00689066024735e-09 -1.002879876285401e-08 1.089578315570855e-09 ] [ 1.762169978153088e-11 -1.33879961263655e-09 2.100544873936185e-10 ] [ 3.3309251946432e-11 1.000898865002612e-08 -1.521629434236549e-09 ] [ 5.915690140847935e-09 1.721330496088896e-09 -1.547175499584557e-09 ] [ 1.040269567671452e-09 -3.62720770624464e-10 1.769172130856632e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.9264881 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.269963391886941e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6470949 1.5837025 1.4390982 ] [ 1.3279583 2.5845345 3.7513872 ] [ 2.3204817 4.1067535 1.8347423 ] [ 4.1116633 2.1921134 1.5160058 ] [ 3.7925055 3.1930461 3.8282445 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6470949e-10 1.5837025e-10 1.4390982e-10 ] [ 1.3279583e-10 2.5845345e-10 3.7513872e-10 ] [ 2.3204817e-10 4.1067535e-10 1.8347423e-10 ] [ 4.1116633e-10 2.1921134e-10 1.5160058e-10 ] [ 3.7925055e-10 3.1930461e-10 3.8282445e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.1e-06 -1.3e-05 3.33e-05 ] [ -2.34e-05 1.82e-05 1.1e-06 ] [ -1.02e-05 1.87e-05 -6.8e-06 ] [ 3.38e-05 7.7e-06 -3.53e-05 ] [ -8.3e-06 -3.15e-05 7.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.297763062848e-14 -2.08282960704e-14 5.335248147264001e-14 ] [ -3.749093292672001e-14 2.915961449856e-14 1.76239428288e-15 ] [ -1.634220153216e-14 2.996070280896e-14 -1.089480102144e-14 ] [ 5.415356978304e-14 1.233675998016e-14 -5.655683471424e-14 ] [ -1.329806595264e-14 -5.04685635552e-14 1.233675998016e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.338031 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.656335157330565e-18 } }