{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6799312 1.3591668 0.5752258 ] [ -0.2575219 -0.0338679 0.5042349 ] [ 0.0588895 -1.111964 0.2663429 ] [ -0.7700107 0.7266183 -0.3071839 ] [ 1.1015595 -0.1516426 -1.1279458 ] [ 1.4798082 0.4167229 -0.3651963 ] [ 0.0672066 -1.2050334 0.4545224 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.69154651536758e-09 2.177625288668551e-09 9.216133360339571e-10 ] [ -4.125955709232846e-10 -5.426235802264859e-11 8.078733748273266e-10 ] [ 9.435138088794298e-11 -1.781562738649176e-09 4.267283710117985e-10 ] [ -1.233693151469984e-09 1.164170862096802e-09 -4.921628669209926e-10 ] [ 1.764892891860723e-09 -2.429582304390084e-10 -1.807168405178437e-09 ] [ 2.370914120841599e-09 6.676636932327186e-10 -5.851089786832542e-10 ] [ 1.076768441705844e-10 -1.930676356669575e-09 7.282251689096015e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.1223 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.22394788823382e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8544464 5.0499898 2.6594209 ] [ 4.9568143 2.6857575 1.4230881 ] [ 2.7924381 2.6700327 2.4176966 ] [ 5.8603308 3.0710165 3.5931653 ] [ 4.739462 5.0458842 1.1852564 ] [ 5.1221037 5.346381 3.5282807 ] [ 3.6829446 3.5902484 4.4392471 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8544464e-10 5.0499898e-10 2.6594209e-10 ] [ 4.956814299999999e-10 2.6857575e-10 1.4230881e-10 ] [ 2.7924381e-10 2.6700327e-10 2.4176966e-10 ] [ 5.8603308e-10 3.0710165e-10 3.5931653e-10 ] [ 4.739461999999999e-10 5.0458842e-10 1.1852564e-10 ] [ 5.1221037e-10 5.346381e-10 3.5282807e-10 ] [ 3.6829446e-10 3.5902484e-10 4.4392471e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.9e-06 -1.7e-06 2.5e-06 ] [ -1.59e-05 1.9e-06 6e-06 ] [ 3.4e-06 -4e-06 -8.5e-06 ] [ 1.1e-05 -2e-07 1.15e-05 ] [ 7.2e-06 1.17e-05 -6.5e-06 ] [ -1.3e-06 -1e-05 -8.1e-06 ] [ 1.4e-06 2.2e-06 3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.452842140600001e-15 -2.7237002778e-15 4.005441585e-15 ] [ -2.54746084806e-14 3.0441356046e-15 9.613059803999999e-15 ] [ 5.4474005556e-15 -6.408706535999999e-15 -1.3618501389e-14 ] [ 1.7623942974e-14 -3.204353268e-16 1.8425031291e-14 ] [ 1.15356717648e-14 1.87454666178e-14 -1.0414148121e-14 ] [ -2.0828296242e-15 -1.602176634e-14 -1.29776307354e-14 ] [ 2.2430472876e-15 3.5247885948e-15 4.806529901999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319343288959e-18 } }