{ "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" [ [ 0.4782146 0.2463157 2.780652 ] [ 1.177721 1.395115 2.585121 ] [ 0.0381624 2.281468 2.997086 ] [ 2.63123 2.94255 0.0860101 ] [ 1.942246 2.110601 1.196975 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.782146e-11 2.463157e-11 2.780652e-10 ] [ 1.177721e-10 1.395115e-10 2.585121e-10 ] [ 3.81624e-12 2.281468e-10 2.997086e-10 ] [ 2.63123e-10 2.94255e-10 8.601010000000001e-12 ] [ 1.942246e-10 2.110601e-10 1.196975e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -60.232867 -100.8969442 17.2948961 ] [ 100.6549762 47.0615774 -14.6169182 ] [ -54.7473127 42.4934671 21.073382 ] [ 24.6768561 29.933888 -39.7124046 ] [ -10.3516526 -18.5919883 15.9610446 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.650369131115584e-08 -1.616547251074021e-07 2.77094781905851e-08 ] [ 1.612670496348204e-07 7.540095904824964e-08 -2.341888460818602e-08 ] [ -8.771486445956693e-08 6.808203952435397e-08 3.376327996158754e-08 ] [ 3.953668191826587e-08 4.795937552324567e-08 -6.362628620587037e-08 ] [ -1.658517578236353e-08 -2.978764898844714e-08 2.557241250166609e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 53.190359 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.522034964175888e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.038577 -0.0505111 3.2794773 ] [ 1.6598746 1.5204582 2.7474775 ] [ -0.5272564 2.2603482 3.2995216 ] [ 3.0913671 3.6162654 -0.1481733 ] [ 2.0821658 1.629489 0.4675409 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.8577e-12 -5.051110000000001e-12 3.2794773e-10 ] [ 1.6598746e-10 1.5204582e-10 2.7474775e-10 ] [ -5.272564e-11 2.2603482e-10 3.2995216e-10 ] [ 3.0913671e-10 3.6162654e-10 -1.481733e-11 ] [ 2.0821658e-10 1.629489e-10 4.675409e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.09e-05 7.81e-05 3.62e-05 ] [ -2.01e-05 -7e-06 3.17e-05 ] [ 3.39e-05 -9.79e-05 -1.02e-05 ] [ -4.6e-06 -9.5e-06 1.6e-06 ] [ 3.17e-05 3.63e-05 -5.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.552902379072e-14 1.2512999408448e-13 5.799879367296e-14 ] [ -3.220375007808e-14 -1.12152363456e-14 5.078899887936e-14 ] [ 5.431378744512e-14 -1.5685309117632e-13 -1.634220153216e-14 ] [ -7.370012455680001e-15 -1.52206778976e-14 2.56348259328e-15 ] [ 5.078899887936e-14 5.815901133504e-14 -9.500907361344e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.771773 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.886045948596468e-18 } }