{ "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" [ [ 2.082752 2.058358 1.918508 ] [ 1.804708 3.969119 3.022657 ] [ 3.997636 1.573064 0.3548062 ] [ 3.986466 2.315414 3.180743 ] [ 3.658552 3.790773 1.50531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.082752e-10 2.058358e-10 1.918508e-10 ] [ 1.804708e-10 3.969119e-10 3.022657e-10 ] [ 3.997636e-10 1.573064e-10 3.548062000000001e-11 ] [ 3.986466e-10 2.315414e-10 3.180743e-10 ] [ 3.658552e-10 3.790773e-10 1.50531e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4141835 -4.0992861 -2.6090888 ] [ -0.0529501 2.0725642 1.8127457 ] [ -0.2918731 0.7357586 1.409952 ] [ 1.6435772 -1.4381233 2.3868409 ] [ 1.1154295 2.7290866 -3.0004498 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.867948393888338e-09 -6.567780405500987e-09 -4.180221111391099e-09 ] [ -8.48354129879634e-11 3.320613933704902e-09 2.904338803923974e-09 ] [ -4.676322609131454e-10 1.178815237184552e-09 2.258992149461568e-09 ] [ 2.633300986015145e-09 -2.304127548070972e-09 3.82414071905553e-09 ] [ 1.787115081774303e-09 4.372478782682505e-09 -4.807250561049973e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.655472 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.027630153064125e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8750152 2.0130458 1.6513427 ] [ 2.0760368 3.8923404 3.2415467 ] [ 4.1360085 1.590352 0.7512617 ] [ 3.9440063 2.2812681 3.1148771 ] [ 3.4990472 3.9297217 1.2229959 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8750152e-10 2.0130458e-10 1.6513427e-10 ] [ 2.0760368e-10 3.8923404e-10 3.2415467e-10 ] [ 4.1360085e-10 1.590352e-10 7.512617e-11 ] [ 3.9440063e-10 2.2812681e-10 3.1148771e-10 ] [ 3.4990472e-10 3.9297217e-10 1.2229959e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 2.8e-06 -2.4e-06 ] [ 5e-07 -3.2e-06 3e-06 ] [ 6e-07 -3.5e-06 1.3e-06 ] [ 2e-07 1.3e-06 1.4e-06 ] [ -1.3e-06 2.5e-06 -3.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 4.486094575199999e-15 -3.845223921599999e-15 ] [ 8.010883169999999e-16 -5.1269652288e-15 4.806529901999999e-15 ] [ 9.613059803999998e-16 -5.607618218999999e-15 2.0828296242e-15 ] [ 3.204353268e-16 2.0828296242e-15 2.2430472876e-15 ] [ -2.0828296242e-15 4.005441585e-15 -5.4474005556e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.29999 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.291110984443366e-18 } }