{ "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" [ [ 1.769072 1.556883 1.447632 ] [ 2.706705 2.541189 3.648112 ] [ 2.031108 4.136433 1.782649 ] [ 3.490046 0.5483522 2.253956 ] [ 3.629143 2.897596 1.184251 ] [ 4.796562 2.667265 3.117649 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.769072e-10 1.556883e-10 1.447632e-10 ] [ 2.706705e-10 2.541189e-10 3.648112e-10 ] [ 2.031108e-10 4.136433e-10 1.782649e-10 ] [ 3.490046e-10 5.483522e-11 2.253956e-10 ] [ 3.629143e-10 2.897596e-10 1.184251e-10 ] [ 4.796562e-10 2.667265e-10 3.117649e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.0694346 -6.1415696 -5.8931037 ] [ -6.8728458 2.5099018 16.9996829 ] [ -5.2837811 8.6272506 0.3013245 ] [ 3.8643393 -13.468089 0.9200821 ] [ 10.3121643 6.4279927 -15.7099341 ] [ 9.0495578 2.0445134 3.3819483 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.77351893215946e-08 -9.839879228136008e-09 -9.441792972089978e-09 ] [ -1.101151285912347e-08 4.021305984463837e-09 2.723649450339354e-08 ] [ -8.465550547844906e-09 1.382237921310277e-08 4.827750691742496e-10 ] [ 6.191354081298638e-09 -2.157825732265365e-08 1.474134029836568e-09 ] [ 1.65219085513084e-08 1.029877962261307e-08 -2.517008912932869e-08 ] [ 1.449898993573828e-08 3.275671570392319e-09 5.418478499014305e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.257662 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.82152651566857e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5576135 1.3473341 1.2658147 ] [ 2.7671874 3.3638729 4.0918367 ] [ 1.8291272 3.6223938 1.8868432 ] [ 3.5520634 0.3725149 2.1039733 ] [ 4.0743025 3.3942074 1.0167138 ] [ 4.6423421 2.247395 3.0690673 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5576135e-10 1.3473341e-10 1.2658147e-10 ] [ 2.7671874e-10 3.3638729e-10 4.0918367e-10 ] [ 1.8291272e-10 3.6223938e-10 1.8868432e-10 ] [ 3.5520634e-10 3.725149e-11 2.1039733e-10 ] [ 4.0743025e-10 3.3942074e-10 1.0167138e-10 ] [ 4.6423421e-10 2.247395e-10 3.0690673e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.1e-06 1e-06 5.4e-06 ] [ -7e-07 -1.6e-06 -4.3e-06 ] [ -1.9e-06 4.6e-06 -1.8e-06 ] [ -0.0 -2.6e-06 -3.1e-06 ] [ -2.3e-06 -1e-06 1.8e-06 ] [ 8e-07 -4e-07 2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.568924145279999e-15 1.6021766208e-15 8.65175375232e-15 ] [ -1.12152363456e-15 -2.56348259328e-15 -6.889359469440001e-15 ] [ -3.04413557952e-15 7.370012455680001e-15 -2.88391791744e-15 ] [ 0.0 -4.16565921408e-15 -4.96674752448e-15 ] [ -3.68500622784e-15 -1.6021766208e-15 2.88391791744e-15 ] [ 1.28174129664e-15 -6.408706483200001e-16 3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.112917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.421356228949088e-18 } }