{ "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" [ [ 0.9991242 0.9479007 1.187372 ] [ 1.085399 0.1016804 2.948528 ] [ 2.969901 0.5974891 1.991295 ] [ 2.924101 2.886024 0.3835606 ] [ 2.264584 2.996261 2.274235 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.991242000000001e-11 9.479007e-11 1.187372e-10 ] [ 1.085399e-10 1.016804e-11 2.948528e-10 ] [ 2.969901e-10 5.974891e-11 1.991295e-10 ] [ 2.924101e-10 2.886024e-10 3.835606e-11 ] [ 2.264584e-10 2.996261e-10 2.274235e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5506423 25.3020399 -43.4897631 ] [ 0.1206576 -19.9801587 43.6131901 ] [ 5.0021809 5.6986542 -0.8366556 ] [ 8.0421783 -5.4148749 -25.4478965 ] [ -10.6143745 -5.6056605 26.1611251 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.08657946108354e-09 4.053833678632877e-08 -6.967828168295053e-08 ] [ 1.933147858418381e-10 -3.201174314901372e-08 6.987603353672601e-08 ] [ 8.014377290992302e-09 9.130250529263728e-09 -1.340470041981397e-09 ] [ 1.288499005256509e-08 -8.675585969336737e-09 -4.077202482083815e-08 ] [ -1.700610266831569e-08 -8.981258197242038e-09 4.191474300904406e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.722447 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.19857837635671e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0955121 1.2334859 0.9415377 ] [ 1.2570206 0.4891271 3.0218403 ] [ 3.0880893 0.7542417 1.8033503 ] [ 2.8402229 2.5226165 0.4921568 ] [ 1.9622643 2.5298841 2.5261054 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0955121e-10 1.2334859e-10 9.415377000000001e-11 ] [ 1.2570206e-10 4.891271e-11 3.0218403e-10 ] [ 3.0880893e-10 7.542417e-11 1.8033503e-10 ] [ 2.8402229e-10 2.5226165e-10 4.921568e-11 ] [ 1.9622643e-10 2.5298841e-10 2.5261054e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.9e-06 2.31e-05 -1.08e-05 ] [ 3.7e-06 -3.41e-05 1e-06 ] [ -6.6e-06 1.24e-05 1.25e-05 ] [ -4.6e-06 -2.58e-05 -2.01e-05 ] [ 7e-07 2.44e-05 1.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.105501868352e-14 3.701027994048e-14 -1.730350750464e-14 ] [ 5.928053496960001e-15 -5.463422276928e-14 1.6021766208e-15 ] [ -1.057436569728e-14 1.986699009792e-14 2.002720776e-14 ] [ -7.370012455680001e-15 -4.133615681664e-14 -3.220375007808e-14 ] [ 1.12152363456e-15 3.909310954752e-14 2.8038090864e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }