{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9949149 0.1765868 1.076126 ] [ -0.0634547 -0.4596504 -1.2398367 ] [ -2.7788856 0.7431644 0.3876408 ] [ 6.7351025 -13.6564405 -5.0942034 ] [ -0.3424527 -3.4815676 5.9184451 ] [ -2.3667014 17.550304 1.4220984 ] [ -2.1785229 -0.8723968 -2.4702701 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.59402939246557e-09 2.829232425018854e-10 1.724143918235021e-09 ] [ -1.016656368198778e-10 -7.364411246213685e-10 -1.986437374349823e-09 ] [ -4.452265540197781e-09 1.19068062709086e-09 6.210690270282087e-10 ] [ 1.079082376419163e-08 -2.188002969244626e-08 -8.16181358907987e-09 ] [ -5.486697096698361e-10 -5.578086212454766e-09 9.482394370708317e-09 ] [ -3.791873651494629e-09 2.811868675673272e-08 2.278452808957087e-09 ] [ -3.490378458257416e-09 -1.397733757020733e-09 -3.957809001281278e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.325325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.455387742116176e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9633407 1.6094621 0.6628959 ] [ 2.8931797 0.855775 2.7361158 ] [ 2.1864187 3.0694216 3.1395989 ] [ 5.1412058 2.1686145 2.1767864 ] [ 4.2431222 2.6572848 4.4713757 ] [ 4.3161564 4.379675 2.7625006 ] [ 3.2142065 3.5926738 0.7956865 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9633407e-10 1.6094621e-10 6.628959000000001e-11 ] [ 2.8931797e-10 8.55775e-11 2.7361158e-10 ] [ 2.1864187e-10 3.0694216e-10 3.1395989e-10 ] [ 5.1412058e-10 2.1686145e-10 2.1767864e-10 ] [ 4.2431222e-10 2.6572848e-10 4.471375700000001e-10 ] [ 4.3161564e-10 4.379675e-10 2.7625006e-10 ] [ 3.2142065e-10 3.5926738e-10 7.956865e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.3626371 -0.0499422 0.5980618 ] [ 0.1971201 0.2786069 -0.5729858 ] [ 0.3837733 0.3660511 0.24878 ] [ -0.492721 -0.1045117 0.5209802 ] [ -0.0982099 -0.3580622 -0.58484 ] [ -0.3792359 0.0077836 -0.123265 ] [ 0.0266363 -0.1399255 -0.0867312 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.810086834547117e-10 -8.001622523131776e-11 9.582006337535655e-10 ] [ 3.158212157097581e-10 4.463774615735635e-10 -9.180244528103847e-10 ] [ 6.148726089472646e-10 5.864785144381229e-10 3.98589499722624e-10 ] [ -7.894260667771968e-10 -1.674462023400634e-10 8.347022963397081e-10 ] [ -1.573496057111059e-10 -5.736788856322138e-10 -9.37016974908672e-10 ] [ -6.076028927480467e-10 1.247070194565888e-11 -1.97492301162912e-10 ] [ 4.267605712461504e-11 -2.241853647537504e-10 -1.38958700933929e-10 ] ] } "relaxed-potential-energy" { "source-value" -19.629406 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.144977537339125e-18 } }