{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.887472e-10 2.1259472e-10 2.5726403e-10 ] [ 4.5337998e-10 8.078165000000001e-11 1.3043385e-10 ] [ 4.707184200000001e-10 3.2619498e-10 1.3664792e-10 ] ] "source-value" [ [ 2.887472 2.1259472 2.5726403 ] [ 4.5337998 0.8078165 1.3043385 ] [ 4.7071842 3.2619498 1.3664792 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 4.229746278912e-13 2.851874385024e-13 -2.787787320192e-13 ] [ 5.944075263168e-14 6.1892082861504e-13 4.48609453824e-15 ] [ -4.8241538052288e-13 -9.0410826711744e-13 2.742926374809599e-13 ] ] "source-value" [ [ 0.000264 0.000178 -0.000174 ] [ 3.71e-05 0.0003863 2.8e-06 ] [ -0.0003011 -0.0005643 0.0001712 ] ] } "species" { "source-value" [ "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.250701127332776e-18 "source-value" -7.8062625 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -5.769737938964214e-09 2.258964893847648e-10 4.113277651639565e-09 ] [ 2.405955786834634e-09 -6.169839252546224e-09 -2.1738008751337e-09 ] [ 3.36378215212958e-09 5.943942923379122e-09 -1.939476776505865e-09 ] ] "source-value" [ [ -3.6011872 0.1409935 2.567306 ] [ 1.5016795 -3.8509108 -1.3567798 ] [ 2.0995077 3.7099174 -1.2105262 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.177269078968168e-18 "source-value" -7.3479357 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.949695e-10 2.067572e-10 2.524059e-10 ] [ 4.466716e-10 8.783305e-11 1.357287e-10 ] [ 4.712045e-10 3.249811e-10 1.362112e-10 ] ] "source-value" [ [ 2.949695 2.067572 2.524059 ] [ 4.466716 0.8783305 1.357287 ] [ 4.712045 3.249811 1.362112 ] ] } "instance-id" 1 }