{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2422976 0.2155702 0.7539187 ] [ 0.1069263 2.303076 0.5134626 ] [ 0.4438839 2.233015 2.726304 ] [ 2.36111 0.1695128 0.2725886 ] [ 2.483594 1.001172 2.982027 ] [ 2.63043 2.516837 1.068712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.422976e-11 2.155702e-11 7.539187e-11 ] [ 1.069263e-11 2.303076e-10 5.134626e-11 ] [ 4.438839e-11 2.233015e-10 2.726304e-10 ] [ 2.36111e-10 1.695128e-11 2.725886e-11 ] [ 2.483594e-10 1.001172e-10 2.982027e-10 ] [ 2.63043e-10 2.516837e-10 1.068712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4483295 -2.3316143 -0.0020293 ] [ 0.0780594 2.2335206 -0.8434929 ] [ -0.3261563 0.3549276 1.3900854 ] [ 1.6355958 0.0537726 0.1817879 ] [ 0.2570352 -0.2633249 -0.1133387 ] [ -0.1962045 -0.0472816 -0.6130123 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.320479664114954e-09 -3.735657920182958e-09 -3.25129701658944e-12 ] [ 1.250649457136755e-10 3.578494487395188e-09 -1.351424604190792e-09 ] [ -5.22559998586631e-10 5.686567027966542e-10 2.227162328795416e-09 ] [ 2.620513351838673e-09 8.615320255963009e-11 2.912563233243283e-10 ] [ 4.118157881626522e-10 -4.218929984544979e-10 -1.81588615371865e-10 ] [ -3.143542627957536e-10 -7.575347411401728e-11 -9.821539753228358e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.203919 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.115501032473692e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1392681 0.2213255 0.1533991 ] [ 0.2156251 2.4277801 0.8129668 ] [ 0.3543549 2.1153197 3.091656 ] [ 2.4412781 -0.0453767 0.7092095 ] [ 2.5994425 1.3473931 2.8698975 ] [ 2.518273 2.3727412 0.6798841 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.392681e-11 2.213255e-11 1.533991e-11 ] [ 2.156251e-11 2.4277801e-10 8.129668e-11 ] [ 3.543549e-11 2.1153197e-10 3.091656e-10 ] [ 2.4412781e-10 -4.53767e-12 7.092095e-11 ] [ 2.5994425e-10 1.3473931e-10 2.8698975e-10 ] [ 2.518273e-10 2.3727412e-10 6.798841e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-07 -3.6e-06 -7.9e-06 ] [ 1.68e-05 -1.23e-05 7.7e-06 ] [ 3.2e-06 1.5e-06 0.0 ] [ -1.25e-05 1.07e-05 7e-06 ] [ -4.2e-06 1.6e-06 -7.1e-06 ] [ -4.1e-06 2.1e-06 3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.28174129664e-15 -5.76783583488e-15 -1.265719530432e-14 ] [ 2.691656722944e-14 -1.970677243584e-14 1.233675998016e-14 ] [ 5.126965186560001e-15 2.4032649312e-15 0.0 ] [ -2.002720776e-14 1.714328984256e-14 1.12152363456e-14 ] [ -6.72914180736e-15 2.56348259328e-15 -1.137545400768e-14 ] [ -6.568924145279999e-15 3.36457090368e-15 4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.296262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.290513674123145e-18 } }