{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.764338 -3.6379168 -0.7368993 ] [ -7.9555838 -6.0185375 5.690109 ] [ -1.1053372 1.6438806 -1.5614472 ] [ 2.6856236 0.2632525 -16.5436335 ] [ 2.7483056 -15.6607462 14.209609 ] [ -4.3790643 17.3498796 -6.2022173 ] [ 8.770394 6.0601877 5.1444792 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.224604484078292e-09 -5.828585293396051e-09 -1.180642840070956e-09 ] [ -1.274625047418893e-08 -9.642760153352773e-09 9.116559684713104e-09 ] [ -1.770945434530984e-09 2.6337870864059e-09 -2.501714219064724e-09 ] [ 4.302843379638962e-09 4.21777004342085e-10 -2.650582303515963e-08 ] [ 4.40327101541135e-09 -2.509128163264429e-08 2.276630351807611e-08 ] [ -7.016034500243564e-09 2.779757169783327e-08 -9.937047637050566e-09 ] [ 1.405172033777379e-08 9.7094911305942e-09 8.242364368339013e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.090874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.776953917343811e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4926076 0.9280531 2.1226402 ] [ 2.1382759 2.6805513 4.2234847 ] [ 1.618457 3.1241897 1.5507854 ] [ 4.3490152 2.804912 1.3216852 ] [ 4.4046645 1.2397392 3.5926993 ] [ 2.9902576 4.7931635 2.6674171 ] [ 4.7122303 3.6285082 3.9293891 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4926076e-10 9.280531e-11 2.1226402e-10 ] [ 2.1382759e-10 2.6805513e-10 4.223484700000001e-10 ] [ 1.618457e-10 3.1241897e-10 1.5507854e-10 ] [ 4.3490152e-10 2.804912e-10 1.3216852e-10 ] [ 4.4046645e-10 1.2397392e-10 3.5926993e-10 ] [ 2.9902576e-10 4.7931635e-10 2.6674171e-10 ] [ 4.7122303e-10 3.6285082e-10 3.9293891e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.09e-05 -1.17e-05 -6e-07 ] [ -2.82e-05 -0.0 4.04e-05 ] [ -1.8e-06 1.16e-05 -2.22e-05 ] [ -1.94e-05 -1.01e-05 9.3e-06 ] [ -2.2e-06 -2.49e-05 -2.08e-05 ] [ 2.41e-05 4.8e-06 4.8e-06 ] [ -3.4e-06 3.04e-05 -1.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.950725799059999e-14 -1.87454666178e-14 -9.613059803999998e-16 ] [ -4.51813810788e-14 0.0 6.472793601359999e-14 ] [ -2.8839179412e-15 1.85852489544e-14 -3.55683212748e-14 ] [ -3.10822266996e-14 -1.61819840034e-14 1.49002426962e-14 ] [ -3.5247885948e-15 -3.989419818659999e-14 -3.332527398719999e-14 ] [ 3.86124568794e-14 7.690447843199998e-15 7.690447843199998e-15 ] [ -5.4474005556e-15 4.870616967359999e-14 -1.73035076472e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.270251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.407869915151513e-18 } }