{ "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" [ [ 2.742286 2.30018 2.898395 ] [ 1.359684 3.93311 2.87757 ] [ 2.145194 3.5026 4.929711 ] [ 3.276834 4.602113 2.280609 ] [ 3.311324 5.492688 4.465054 ] [ 4.684796 3.351118 3.565163 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.742286e-10 2.30018e-10 2.898395e-10 ] [ 1.359684e-10 3.93311e-10 2.87757e-10 ] [ 2.145194e-10 3.5026e-10 4.929711e-10 ] [ 3.276834e-10 4.602113e-10 2.280609e-10 ] [ 3.311324e-10 5.492688e-10 4.465054e-10 ] [ 4.684796000000001e-10 3.351118e-10 3.565163e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.025875 -14.582762 -2.8576213 ] [ -14.1396104 1.9313461 -4.7073191 ] [ -5.2504409 -2.3075851 14.2806676 ] [ 6.063254 11.172627 -12.991101 ] [ 2.5446222 6.6277025 4.9888041 ] [ 9.7563001 -2.8413285 1.2865698 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6436329408632e-09 -2.336416034309065e-08 -4.578414037960103e-09 ] [ -2.265415321010054e-08 3.094357568093259e-09 -7.541956608665298e-09 ] [ -8.412133658872111e-09 -3.69715889772643e-09 2.288015175813604e-08 ] [ 9.714403804772083e-09 1.790052177231884e-08 -2.08140383006515e-08 ] [ 4.076934197608662e-09 1.061874999511771e-08 7.992945294771186e-09 ] [ 1.56313159257287e-08 -4.552310094712732e-09 2.061312054587332e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6546296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.457538723603656e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.8628983 1.9443889 3.4517314 ] [ 1.296753 3.7763962 2.4797913 ] [ 1.7720675 3.6942425 5.0334167 ] [ 3.1823213 5.2269724 2.1753353 ] [ 3.657619 5.1448392 4.7289613 ] [ 4.748459 3.3949699 3.147266 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8628983e-10 1.9443889e-10 3.4517314e-10 ] [ 1.296753e-10 3.7763962e-10 2.4797913e-10 ] [ 1.7720675e-10 3.6942425e-10 5.0334167e-10 ] [ 3.1823213e-10 5.226972400000001e-10 2.1753353e-10 ] [ 3.657619e-10 5.1448392e-10 4.7289613e-10 ] [ 4.748459000000001e-10 3.3949699e-10 3.147266e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8e-07 5.9e-06 -1.96e-05 ] [ -1.56e-05 -8.5e-06 -2.2e-05 ] [ 6.9e-06 2.51e-05 -3.3e-06 ] [ -1.57e-05 -3.54e-05 3.04e-05 ] [ 2.24e-05 -8e-06 9e-07 ] [ 2.9e-06 2.09e-05 1.35e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.28174129664e-15 9.45284206272e-15 -3.140266176767999e-14 ] [ -2.499395528448e-14 -1.36185012768e-14 -3.52478856576e-14 ] [ 1.105501868352e-14 4.021463318208e-14 -5.28718284864e-15 ] [ -2.515417294656e-14 -5.671705237632e-14 4.870616927232e-14 ] [ 3.588875630592e-14 -1.28174129664e-14 1.44195895872e-15 ] [ 4.646312200320001e-15 3.348549137472e-14 2.16293843808e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.187542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.273094809901807e-18 } }