{ "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" [ [ -5.6319178 1.3930429 -0.970283 ] [ -1.6045487 -3.217609 3.0726051 ] [ 7.6671 -17.032634 14.9003304 ] [ -1.7992338 17.0734096 -14.8504971 ] [ 1.3686004 1.7837906 -2.1521554 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.023327029427371e-09 2.231900766151432e-09 -1.554564738159687e-09 ] [ -2.570770414075033e-09 -5.155177914675667e-09 4.922856056170846e-09 ] [ 1.228404836933568e-08 -2.728928798544319e-08 2.387296100907551e-08 ] [ -2.882690329713143e-09 2.735461769846229e-08 -2.37931192608782e-08 ] [ 2.192739564097529e-09 2.857947595722804e-09 -3.448133066208472e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.8501331 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.37294648138823e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3742676 0.6866802 2.5729344 ] [ 0.3420062 2.423823 0.9188462 ] [ 2.5382445 -0.2960441 2.4981358 ] [ 2.4445074 2.0749642 2.2510061 ] [ 2.4874468 2.4391971 -0.1063295 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.742676e-11 6.866802e-11 2.5729344e-10 ] [ 3.420062e-11 2.423823e-10 9.188462e-11 ] [ 2.5382445e-10 -2.960441e-11 2.4981358e-10 ] [ 2.4445074e-10 2.0749642e-10 2.2510061e-10 ] [ 2.4874468e-10 2.4391971e-10 -1.063295e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -5e-07 -0.0 ] [ -1.4e-06 3e-07 4e-07 ] [ -2e-07 -1e-06 3e-07 ] [ 5e-07 1.3e-06 -4e-07 ] [ 1.1e-06 -0.0 -3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -8.010883104e-16 0.0 ] [ -2.24304726912e-15 4.8065298624e-16 6.408706483200001e-16 ] [ -3.2043532416e-16 -1.6021766208e-15 4.8065298624e-16 ] [ 8.010883104e-16 2.08282960704e-15 -6.408706483200001e-16 ] [ 1.76239428288e-15 0.0 -4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -13.407227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.148074564915853e-18 } }