{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8670835 0.0748596 0.0624467 ] [ 1.077368 0.92169 1.864842 ] [ 2.976718 2.979813 0.7013645 ] [ 1.541867 2.360612 1.695051 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.670835000000001e-11 7.48596e-12 6.24467e-12 ] [ 1.077368e-10 9.216900000000001e-11 1.864842e-10 ] [ 2.976718e-10 2.979813e-10 7.013645e-11 ] [ 1.541867e-10 2.360612e-10 1.695051e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7506816 -3.0419244 -6.724168 ] [ -17.6987796 -54.6159647 13.5534345 ] [ 12.4219688 5.1942883 -8.6175296 ] [ 6.0274925 52.4636008 1.7882632 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.202724509184737e-09 -4.873700155921068e-09 -1.077330476393149e-08 ] [ -2.835657089181198e-08 -8.750442176477809e-08 2.171499588744414e-08 ] [ 1.990218799566703e-08 8.322167275954977e-09 -1.380680445417197e-08 ] [ 9.657107565547345e-09 8.405595464474418e-08 2.865113490876995e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 9.5274088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.526459163616418e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7949845 -0.2774256 -0.1622333 ] [ 0.853865 0.5994145 1.9761224 ] [ 3.2617007 3.2096856 0.5032559 ] [ 1.5524862 2.8053 2.0065592 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.949845000000001e-11 -2.774256e-11 -1.622333e-11 ] [ 8.53865e-11 5.994145e-11 1.9761224e-10 ] [ 3.2617007e-10 3.2096856e-10 5.032559e-11 ] [ 1.5524862e-10 2.8053e-10 2.0065592e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.7e-06 3.65e-05 1.84e-05 ] [ 9.7e-06 -1.08e-05 -3.5e-06 ] [ 9e-06 -1.62e-05 -1.37e-05 ] [ -2.84e-05 -9.5e-06 -1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.554111322176e-14 5.84794466592e-14 2.948004982272e-14 ] [ 1.554111322176e-14 -1.730350750464e-14 -5.6076181728e-15 ] [ 1.44195895872e-14 -2.595526125696e-14 -2.194981970496e-14 ] [ -4.550181603071999e-14 -1.52206778976e-14 -1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.8892077 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.263990413357534e-18 } }