{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4863814 -2.1719221 -3.5524864 ] [ -3.4024174 0.9465465 -1.2348115 ] [ -1.3145813 2.0792545 2.4311213 ] [ -0.8815354 -0.9577409 1.8253266 ] [ 4.1555945 -1.5361327 -0.0686462 ] [ 2.9602296 2.4685679 0.9235312 ] [ -0.0309086 -0.8285733 -0.3240349 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.381445528671973e-09 -3.47980281081884e-09 -5.691710655789958e-09 ] [ -5.451273612483121e-09 1.516534672800067e-09 -1.978386116394979e-09 ] [ -2.106191425000871e-09 3.331332948593193e-09 3.895085709188903e-09 ] [ -1.412375408287576e-09 -1.534470078763951e-09 2.924495603844353e-09 ] [ 6.657996353425066e-09 -2.46115589838638e-09 -1.09983336746761e-10 ] [ 4.742810657320136e-09 3.955081776237353e-09 1.479660097219369e-09 ] [ -4.952103630165888e-11 -1.327520769879105e-09 -5.19161141103266e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.933161 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.033426791204235e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6938909 3.0798767 1.3967996 ] [ 1.4637382 1.6493428 2.9969442 ] [ 1.5549889 3.989015 3.3891145 ] [ 4.1161053 1.1191322 1.7966163 ] [ 3.5372785 1.2983484 4.1385043 ] [ 4.7792281 3.2136314 2.8124548 ] [ 3.4233952 3.6550436 4.7353893 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6938909e-10 3.0798767e-10 1.3967996e-10 ] [ 1.4637382e-10 1.6493428e-10 2.9969442e-10 ] [ 1.5549889e-10 3.989015000000001e-10 3.3891145e-10 ] [ 4.1161053e-10 1.1191322e-10 1.7966163e-10 ] [ 3.5372785e-10 1.2983484e-10 4.1385043e-10 ] [ 4.7792281e-10 3.2136314e-10 2.8124548e-10 ] [ 3.4233952e-10 3.6550436e-10 4.7353893e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.75e-05 3.2e-06 -7.6e-06 ] [ 0.0001443 -8.8e-06 -4.57e-05 ] [ -4.81e-05 5.1e-06 2.14e-05 ] [ -0.0001073 1.91e-05 5.93e-05 ] [ -1.21e-05 7e-07 -1.69e-05 ] [ 5.3e-05 -2.71e-05 -1.1e-06 ] [ -1.23e-05 7.7e-06 -9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.8038090864e-14 5.126965186560001e-15 -1.217654231808e-14 ] [ 2.3119408638144e-13 -1.409915426304e-14 -7.321947157056e-14 ] [ -7.706469546047999e-14 8.17110076608e-15 3.428657968511999e-14 ] [ -1.7191355141184e-13 3.060157345728e-14 9.500907361344e-14 ] [ -1.938633711168e-14 1.12152363456e-15 -2.707678489152e-14 ] [ 8.49153609024e-14 -4.341898642368e-14 -1.76239428288e-15 ] [ -1.970677243584e-14 1.233675998016e-14 -1.506046023552e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.786315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.490552454638435e-18 } }