{ "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" [ [ -3.0717677 -3.3439398 2.3832949 ] [ 1.9046862 -1.2886247 -1.7648611 ] [ 0.6878237 3.6293196 0.1146959 ] [ 1.5728101 1.2740411 0.555014 ] [ -1.0935523 -0.2707962 -1.2881436 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.921514393468589e-09 -5.357582168922628e-09 3.818459369251874e-09 ] [ 3.051643699600393e-09 -2.064604367325414e-09 -2.827619193379371e-09 ] [ 1.102015051372153e-09 5.814811012531208e-09 1.837630894816147e-10 ] [ 2.51991957117811e-09 2.041238864358315e-09 8.892304550166912e-10 ] [ -1.752063928682068e-09 -4.33863340641481e-10 -2.063833560153147e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.886048 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.06457248401066e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0304549 1.5070258 1.9328199 ] [ 1.1057609 2.9479834 3.7131291 ] [ 2.333028 4.0365843 1.8665973 ] [ 4.1741213 2.5160714 1.2346641 ] [ 3.5563387 2.652485 3.6222676 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0304549e-10 1.5070258e-10 1.9328199e-10 ] [ 1.1057609e-10 2.9479834e-10 3.7131291e-10 ] [ 2.333028e-10 4.036584300000001e-10 1.8665973e-10 ] [ 4.1741213e-10 2.5160714e-10 1.2346641e-10 ] [ 3.5563387e-10 2.652485e-10 3.6222676e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-07 8.7e-06 2.87e-05 ] [ 5.3e-06 -2.2e-06 -1.57e-05 ] [ 7.1e-06 -7.9e-06 -4.2e-06 ] [ -6.8e-06 1.83e-05 9e-06 ] [ -5e-06 -1.69e-05 -1.78e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12152363456e-15 1.393893660096e-14 4.598246901696e-14 ] [ 8.491536090240001e-15 -3.52478856576e-15 -2.515417294656e-14 ] [ 1.137545400768e-14 -1.265719530432e-14 -6.72914180736e-15 ] [ -1.089480102144e-14 2.931983216064e-14 1.44195895872e-14 ] [ -8.010883104e-15 -2.707678489152e-14 -2.851874385024e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.299971 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.2911079214318e-18 } }