{ "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" [ [ 0.4008083 0.5190667 2.588988 ] [ 0.3705603 2.591564 0.7446841 ] [ 2.694344 0.0700188 2.876141 ] [ 2.159519 1.331763 1.766469 ] [ 2.561241 2.816208 0.1583109 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.008083e-11 5.190667e-11 2.588988e-10 ] [ 3.705603e-11 2.591564e-10 7.446841e-11 ] [ 2.694344e-10 7.001880000000001e-12 2.876141e-10 ] [ 2.159519e-10 1.331763e-10 1.766469e-10 ] [ 2.561241e-10 2.816208e-10 1.583109e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.412321 -2.5818832 2.6942327 ] [ -2.9475203 0.6009975 -0.1031128 ] [ 8.9688562 -17.0515429 14.8628784 ] [ -1.5120773 16.648501 -14.476155 ] [ 2.9030623 2.3839275 -2.9778433 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.187584750990751e-08 -4.136632934757149e-09 4.316636678498732e-09 ] [ -4.722448152900669e-09 9.629041515924148e-10 -1.652049188263152e-10 ] [ 1.436969183734603e-08 -2.73195836080286e-08 2.38129564864633e-08 ] [ -2.422614918861808e-09 2.667383929332563e-08 -2.319335729116227e-08 ] [ 4.651218584106298e-09 3.819472937650035e-09 -4.771030954973452e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.8852117 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.020442135883417e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1791135 -0.3410899 1.542944 ] [ 0.4244348 3.427343 1.90788 ] [ 3.1006379 1.1976448 3.4114862 ] [ 1.637295 1.4657236 1.6269186 ] [ 2.8449914 1.5789989 -0.3546358 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.791135e-11 -3.410899e-11 1.542944e-10 ] [ 4.244348e-11 3.427343e-10 1.90788e-10 ] [ 3.1006379e-10 1.1976448e-10 3.4114862e-10 ] [ 1.637295e-10 1.4657236e-10 1.6269186e-10 ] [ 2.8449914e-10 1.5789989e-10 -3.546358e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.2e-06 -3e-07 2e-07 ] [ -2e-07 7e-07 1e-07 ] [ -4e-07 -8e-07 -1.6e-06 ] [ -1e-06 1.2e-06 2e-07 ] [ 4e-07 -8e-07 1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.9226119608e-15 -4.806529901999999e-16 3.204353268e-16 ] [ -3.204353268e-16 1.1215236438e-15 1.602176634e-16 ] [ -6.408706536e-16 -1.2817413072e-15 -2.5634826144e-15 ] [ -1.602176634e-15 1.9226119608e-15 3.204353268e-16 ] [ 6.408706536e-16 -1.2817413072e-15 1.602176634e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.9443072 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.593253663715797e-18 } }