{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.9948461 -10.1331182 -12.8603889 ] [ 0.7761999 0.1958289 -0.4322623 ] [ -3.5211333 -0.8497703 6.8062781 ] [ -3.2554602 -8.3608414 -11.7978996 ] [ 6.6087032 8.3935982 11.7055713 ] [ 1.1594129 0.1180015 -2.4864675 ] [ 12.2271236 10.6363013 9.0651689 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.242221541784602e-08 -1.623504520960014e-08 -2.060461459973296e-08 ] [ 1.243609343093137e-09 3.137524878419225e-10 -6.925605568190981e-10 ] [ -5.641477498459311e-09 -1.36148211892717e-09 1.090485973632592e-08 ] [ -5.215822265356966e-09 -1.339554473165985e-08 -1.890231906939794e-08 ] [ 1.058830984808103e-08 1.344802691122446e-08 1.875439282448101e-08 ] [ 1.857584257538178e-09 1.89059246076951e-10 -3.983760129700394e-09 ] [ 1.959001173294996e-08 1.704123341504382e-08 1.452400179484348e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.349556 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.65818167954745e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8929764 3.3590734 1.9671331 ] [ 2.3176584 0.913966 2.4814447 ] [ 2.6042559 2.5580778 4.3888423 ] [ 4.6947122 1.0830546 1.8392087 ] [ 5.0861728 2.2488516 3.9790948 ] [ 4.1678159 3.2830335 0.8523461 ] [ 4.0372025 4.3929548 3.1270892 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8929764e-10 3.3590734e-10 1.9671331e-10 ] [ 2.3176584e-10 9.13966e-11 2.4814447e-10 ] [ 2.6042559e-10 2.5580778e-10 4.388842300000001e-10 ] [ 4.6947122e-10 1.0830546e-10 1.8392087e-10 ] [ 5.0861728e-10 2.2488516e-10 3.9790948e-10 ] [ 4.1678159e-10 3.2830335e-10 8.523461e-11 ] [ 4.037202500000001e-10 4.3929548e-10 3.1270892e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.4e-06 -2.2e-05 3.13e-05 ] [ 2.95e-05 -2.05e-05 -2.73e-05 ] [ -1.37e-05 2.38e-05 -1.75e-05 ] [ -3.28e-05 1.3e-05 3.35e-05 ] [ -5.7e-06 -9.5e-06 -1.63e-05 ] [ -3.8e-06 1.58e-05 9.9e-06 ] [ 2.79e-05 -6e-07 -1.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.2430472876e-15 -3.5247885948e-14 5.014812864419999e-14 ] [ 4.726421070299999e-14 -3.2844620997e-14 -4.37394221082e-14 ] [ -2.19498198858e-14 3.81318038892e-14 -2.8038091095e-14 ] [ -5.255139359519999e-14 2.082829624199999e-14 5.367291723899999e-14 ] [ -9.1324068138e-15 -1.5220678023e-14 -2.61154791342e-14 ] [ -6.088271209199999e-15 2.53143908172e-14 1.58615486766e-14 ] [ 4.470072808859999e-14 -9.613059803999998e-16 -2.17896022224e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }