{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2523845 -6.030565 -3.8095568 ] [ -2.4738953 -0.446366 3.7548893 ] [ 0.785987 3.413795 -2.9724082 ] [ -0.7568686 1.5899046 1.5827545 ] [ 4.0189721 -1.1228164 3.0158102 ] [ 0.0406176 1.9368229 -2.35626 ] [ 0.6375717 0.6592248 0.784771 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.608717816683772e-09 -9.662030332818208e-09 -6.103582890855811e-09 ] [ -3.96361724462242e-09 -7.151571754120439e-10 6.015995899716615e-09 ] [ 1.259290006027758e-09 5.46950258226603e-09 -4.762322964749998e-09 ] [ -1.212637185928292e-09 2.547308000409116e-09 2.535852277258353e-09 ] [ 6.439103191317911e-09 -1.798950200351998e-09 4.831860635018867e-09 ] [ 6.507656964915838e-11 3.103132394576118e-09 -3.77514471562884e-09 ] [ 1.021502480239658e-09 1.056194571113323e-09 1.257341759240814e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.870171 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.382464051978441e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7897155 1.8077463 2.1171029 ] [ 1.650194 2.493651 4.1565268 ] [ 2.7231465 3.9808017 0.973371 ] [ 2.0404981 4.7894013 3.1344003 ] [ 5.0359654 2.5876702 2.734195 ] [ 5.105754 4.0343397 0.8366562 ] [ 3.8636795 3.6912028 4.5224488 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7897155e-10 1.8077463e-10 2.1171029e-10 ] [ 1.650194e-10 2.493651e-10 4.1565268e-10 ] [ 2.7231465e-10 3.9808017e-10 9.73371e-11 ] [ 2.0404981e-10 4.7894013e-10 3.1344003e-10 ] [ 5.035965400000001e-10 2.5876702e-10 2.734195e-10 ] [ 5.105754e-10 4.0343397e-10 8.366562e-11 ] [ 3.8636795e-10 3.6912028e-10 4.522448800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.8e-06 -1e-06 -3e-07 ] [ -2.7e-06 4e-07 1.9e-06 ] [ 1e-07 2e-07 5e-07 ] [ -1e-06 -9e-07 -1.4e-06 ] [ 2.8e-06 -5e-07 -6e-07 ] [ 2e-07 1.4e-06 2.7e-06 ] [ 2.5e-06 4e-07 -2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.8839179412e-15 -1.602176634e-15 -4.806529901999999e-16 ] [ -4.3258769118e-15 6.408706536e-16 3.0441356046e-15 ] [ 1.602176634e-16 3.204353268e-16 8.010883169999999e-16 ] [ -1.602176634e-15 -1.4419589706e-15 -2.2430472876e-15 ] [ 4.486094575199999e-15 -8.010883169999999e-16 -9.613059803999998e-16 ] [ 3.204353268e-16 2.2430472876e-15 4.3258769118e-15 ] [ 4.005441585e-15 6.408706536e-16 -4.3258769118e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.082717 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.897170665663458e-18 } }