{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1200979 -2.9279087 -5.0679089 ] [ -6.164566 -9.4022717 4.0831706 ] [ -0.409936 2.561478 -1.2732986 ] [ -2.8380119 1.6044152 0.4125823 ] [ 1.1630222 -1.0267424 -0.0964102 ] [ -0.3444206 0.8396827 0.0429554 ] [ 9.7140102 8.351347 1.8989093 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.794594683172469e-09 -4.691026905625315e-09 -8.11968522282064e-09 ] [ -9.876723603950842e-09 -1.506410002425946e-08 6.54196052795576e-09 ] [ -6.56789880635424e-10 4.103940200105052e-09 -2.040049265024912e-09 ] [ -4.546996353193944e-09 2.570556544674437e-09 6.610297206619781e-10 ] [ 1.863366993663274e-09 -1.645022682417081e-09 -1.544661697192668e-10 ] [ -5.518226375882604e-10 1.345320001914032e-09 6.88221381841236e-11 ] [ 1.556356016487766e-08 1.3380333025826e-08 3.042388110545296e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.513277 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.645718656016961e-18 } "relaxed-configuration-positions" { "source-value" [ [ 4.5927177 2.353364 3.4387023 ] [ 2.3187672 1.2621823 4.1554595 ] [ 3.2353008 4.5951211 3.3537635 ] [ 1.2273676 3.448298 4.1433162 ] [ 3.1126002 1.1103019 1.8874994 ] [ 3.7322053 3.3634706 1.345529 ] [ 3.3261971 3.1697191 5.3846497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.5927177e-10 2.353364e-10 3.4387023e-10 ] [ 2.3187672e-10 1.2621823e-10 4.1554595e-10 ] [ 3.2353008e-10 4.5951211e-10 3.3537635e-10 ] [ 1.2273676e-10 3.448298e-10 4.1433162e-10 ] [ 3.1126002e-10 1.1103019e-10 1.8874994e-10 ] [ 3.7322053e-10 3.3634706e-10 1.345529e-10 ] [ 3.3261971e-10 3.1697191e-10 5.3846497e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9e-07 -2.6e-06 1.13e-05 ] [ -1e-05 -8.9e-06 -3e-06 ] [ 7.5e-06 1.8e-06 -2.6e-06 ] [ -2.1e-06 -9.5e-06 1.3e-06 ] [ -2.2e-06 -8.1e-06 5.2e-06 ] [ 1e-07 1.8e-05 -1.18e-05 ] [ 7.6e-06 9.4e-06 -4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.4419589706e-15 -4.165659248399999e-15 1.81045959642e-14 ] [ -1.602176634e-14 -1.42593720426e-14 -4.806529901999999e-15 ] [ 1.2016324755e-14 2.8839179412e-15 -4.165659248399999e-15 ] [ -3.364570931399999e-15 -1.5220678023e-14 2.0828296242e-15 ] [ -3.5247885948e-15 -1.29776307354e-14 8.331318496799998e-15 ] [ 1.602176634e-16 2.8839179412e-14 -1.89056842812e-14 ] [ 1.21765424184e-14 1.50604603596e-14 -6.408706536e-16 ] ] } "relaxed-potential-energy" { "source-value" -21.454609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.437407323140611e-18 } }