{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7446066 0.1944515 0.1494579 ] [ 0.9752316 0.2958523 2.14555 ] [ 1.483774 1.800686 1.444998 ] [ 2.76885 0.9073334 0.4143235 ] [ 2.782831 0.444621 2.68949 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.446066e-11 1.944515e-11 1.494579e-11 ] [ 9.752316e-11 2.958523e-11 2.14555e-10 ] [ 1.483774e-10 1.800686e-10 1.444998e-10 ] [ 2.76885e-10 9.073334e-11 4.143235000000001e-11 ] [ 2.782831e-10 4.44621e-11 2.68949e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.7800886 -24.7573042 -24.4042489 ] [ -31.9948403 -32.4649589 21.2239609 ] [ -8.2489995 75.417862 5.9376193 ] [ 29.1496911 -6.2199421 -21.9612013 ] [ 27.8742373 -11.9756567 19.20387 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.688466587136977e-08 -3.966557431007006e-08 -3.90999173579002e-08 ] [ -5.126138553722155e-08 -5.201459857335033e-08 3.400453423490961e-08 ] [ -1.321635425277768e-08 1.208327362826365e-07 9.513114904047435e-09 ] [ 4.670295396873775e-08 -9.965445897452891e-09 -3.518572357743042e-08 ] [ 4.465945169263125e-08 -1.918711734154555e-08 3.076799179637358e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 22.54603 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.612272245546301e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8397717 -0.4212168 -0.0503376 ] [ 0.5797907 0.3863268 2.3982136 ] [ 1.3011394 2.7140246 1.5169672 ] [ 2.9223297 1.0708538 0.3393118 ] [ 3.1122617 -0.1070441 2.6396643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.397717e-11 -4.212168e-11 -5.03376e-12 ] [ 5.797907e-11 3.863268e-11 2.3982136e-10 ] [ 1.3011394e-10 2.7140246e-10 1.5169672e-10 ] [ 2.9223297e-10 1.0708538e-10 3.393118e-11 ] [ 3.1122617e-10 -1.070441e-11 2.6396643e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-06 9e-06 4.5e-06 ] [ 1.31e-05 -1e-07 -9.5e-06 ] [ 3.1e-06 -4.9e-06 -2.1e-06 ] [ -1.91e-05 -7.8e-06 9.6e-06 ] [ -5e-06 3.8e-06 -2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.2817413072e-14 1.4419589706e-14 7.209794853e-15 ] [ 2.09885139054e-14 -1.602176634e-16 -1.5220678023e-14 ] [ 4.9667475654e-15 -7.850665506599998e-15 -3.364570931399999e-15 ] [ -3.06015737094e-14 -1.24969777452e-14 1.53808956864e-14 ] [ -8.010883169999999e-15 6.088271209199999e-15 -4.005441585e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.588965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.177192220324381e-18 } }