{ "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" [ [ 1.103512 1.466985 2.426499 ] [ 2.074865 2.595365 4.552024 ] [ 1.591542 3.438653 2.256813 ] [ 3.435088 2.328735 1.940231 ] [ 4.699457 2.544305 3.846061 ] [ 3.437343 0.6039955 3.482177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.103512e-10 1.466985e-10 2.426499e-10 ] [ 2.074865e-10 2.595365e-10 4.552024e-10 ] [ 1.591542e-10 3.438653e-10 2.256813e-10 ] [ 3.435088e-10 2.328735e-10 1.940231e-10 ] [ 4.699457e-10 2.544305e-10 3.846061e-10 ] [ 3.437343e-10 6.039955e-11 3.482177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7437924 -4.1213329 0.4946761 ] [ -0.0278311 0.0489524 -0.1305636 ] [ -0.6710557 4.8552958 -0.4634324 ] [ 3.3828883 -2.071829 4.1036603 ] [ -3.3691692 -3.7712121 -2.914453 ] [ 2.4289601 5.0601258 -1.0898874 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.793863414808722e-09 -6.603103218913864e-09 7.925584822885229e-10 ] [ -4.459033775114689e-11 7.843039081204992e-11 -2.091859474474829e-10 ] [ -1.075149753794579e-09 7.779041417828434e-09 -7.42500556601234e-10 ] [ 5.419984545037857e-09 -3.319435986095444e-09 6.574788592365114e-09 ] [ -5.39800412375944e-09 -6.042147858698072e-09 -4.669468459020423e-09 ] [ 3.89162308507603e-09 8.107215255066896e-09 -1.746192111584498e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8848321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.103071702875337e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0572963 1.6372316 2.2975701 ] [ 2.0745486 2.5959216 4.5505395 ] [ 1.5364111 3.1730992 1.7387599 ] [ 3.6732645 3.4688382 2.173417 ] [ 4.7797239 1.9992769 3.3868549 ] [ 4.2205627 0.103671 4.3566635 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.72963e-12 1.6372316e-10 2.2975701e-10 ] [ 2.0745486e-10 2.5959216e-10 4.5505395e-10 ] [ 1.5364111e-10 3.1730992e-10 1.7387599e-10 ] [ 3.6732645e-10 3.4688382e-10 2.173417e-10 ] [ 4.7797239e-10 1.9992769e-10 3.3868549e-10 ] [ 4.220562700000001e-10 1.03671e-11 4.3566635e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1839863 0.4645759 -0.2461588 ] [ 0.0 0.0 0.0 ] [ -0.6219703 -0.3755737 0.0728884 ] [ 0.2889697 -0.1642362 0.1796805 ] [ -0.0817558 0.0477246 -0.0590769 ] [ 0.2307701 0.0275094 0.0526667 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.94778548407495e-10 7.443326455671188e-10 -3.943898743641831e-10 ] [ 0.0 0.0 0.0 ] [ -9.965062734919622e-10 -6.01735401527353e-10 1.167800904075187e-10 ] [ 4.629804974595897e-10 -2.63135399929033e-10 2.878798963136544e-10 ] [ -1.309872313748006e-10 7.646323835703167e-11 -9.465162800933952e-11 ] [ 3.697344589996781e-10 4.407491753223552e-11 8.438135543468736e-11 ] ] } "relaxed-potential-energy" { "source-value" -10.689444 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.712637726615084e-18 } }