{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.498941 0.2917441 1.412179 ] [ 0.7321813 1.344758 2.47059 ] [ 0.7391833 1.573141 0.3619984 ] [ 0.011627 2.973124 1.6693 ] [ 2.701347 1.320916 0.403113 ] [ 2.713757 1.097636 2.168947 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.498941e-10 2.917441e-11 1.412179e-10 ] [ 7.321813e-11 1.344758e-10 2.47059e-10 ] [ 7.391833000000001e-11 1.573141e-10 3.619984e-11 ] [ 1.1627e-12 2.973124e-10 1.6693e-10 ] [ 2.701347e-10 1.320916e-10 4.03113e-11 ] [ 2.713757e-10 1.097636e-10 2.168947e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -299.7638452 -668.2806745 -255.4494685 ] [ -196.2510605 171.8862261 335.5828961 ] [ -104.4378642 55.4274892 -108.1922245 ] [ -32.6927815 81.947484 -24.2521917 ] [ 251.8641881 162.3032219 -277.5985996 ] [ 381.2813633 196.7162534 329.9095883 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.802746245405503e-07 -1.070703672816355e-06 -4.092751662264861e-07 ] [ -3.144288609403063e-07 2.753920928949627e-07 5.376630704717756e-07 ] [ -1.673279043475253e-07 8.880462734588449e-08 -1.73343052646245e-07 ] [ -5.237961018822276e-08 1.312943429981821e-07 -3.885629454489981e-08 ] [ 4.035309137905936e-07 2.600384276086946e-07 -4.447619862459403e-07 ] [ 6.108800862260112e-07 3.151741821288485e-07 5.285734293520132e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 295.44351 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.73352684489091e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.2007969 -0.187448 1.269516 ] [ 0.6937731 1.436199 3.2839219 ] [ 0.5519394 1.7793584 -0.3619897 ] [ -0.3382224 3.0658244 1.635591 ] [ 3.0940852 1.3753734 0.0367916 ] [ 3.1946643 1.1320119 2.6222966 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2007969e-10 -1.87448e-11 1.269516e-10 ] [ 6.937731000000001e-11 1.436199e-10 3.2839219e-10 ] [ 5.519394e-11 1.7793584e-10 -3.619897e-11 ] [ -3.382224e-11 3.0658244e-10 1.635591e-10 ] [ 3.0940852e-10 1.3753734e-10 3.67916e-12 ] [ 3.1946643e-10 1.1320119e-10 2.6222966e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.34e-05 5.71e-05 -5.13e-05 ] [ 3e-07 -2.99e-05 6.28e-05 ] [ -6.1e-06 -1.05e-05 1.33e-05 ] [ -2.9e-06 2.81e-05 -4.9e-05 ] [ -5.77e-05 -3.51e-05 -1.4e-05 ] [ 2.9e-06 -9.8e-06 3.82e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.0157799775872e-13 9.148428504768e-14 -8.219166064704e-14 ] [ 4.8065298624e-16 -4.790508096192e-14 1.0061669178624e-13 ] [ -9.77327738688e-15 -1.68228545184e-14 2.130894905664e-14 ] [ -4.646312200320001e-15 4.502116304448e-14 -7.85066544192e-14 ] [ -9.244559102016e-14 -5.623639939008e-14 -2.24304726912e-14 ] [ 4.646312200320001e-15 -1.570133088384e-14 6.120314691456e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.426274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.27264986528549e-18 } }