{ "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" [ [ 0.9312002 0.7437347 1.637203 ] [ 0.2868751 2.587784 1.486301 ] [ 2.468756 0.0419283 1.950884 ] [ 2.101698 2.93019 0.1307908 ] [ 2.374683 2.856414 2.678274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.312002000000001e-11 7.437347e-11 1.637203e-10 ] [ 2.868751e-11 2.587784e-10 1.486301e-10 ] [ 2.468756e-10 4.19283e-12 1.950884e-10 ] [ 2.101698e-10 2.93019e-10 1.307908e-11 ] [ 2.374683e-10 2.856414e-10 2.678274e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -25.5189856 6.8807384 -4.49138 ] [ -7.5003924 1.1580935 -0.2445086 ] [ 24.8448608 -8.3126676 6.2039667 ] [ 3.2768663 2.2835963 -5.5326603 ] [ 4.8976509 -2.0097606 4.0645822 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.088592245170247e-08 1.102415828914655e-08 -7.19598409041492e-09 ] [ -1.201695344911118e-08 1.855470345687279e-09 -3.917459657320523e-10 ] [ 3.980585544874254e-08 -1.331836179492886e-08 9.939850484854087e-09 ] [ 5.250118618602033e-09 3.658724633348854e-09 -8.864299056519428e-09 ] [ 7.84690183346907e-09 -3.21999147325382e-09 6.512178627812314e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.8748033 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.605942674606091e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5160296 0.3305967 1.2280158 ] [ 0.6953992 2.7645217 1.5417338 ] [ 2.577146 0.0324866 2.712672 ] [ 1.6920373 3.4585935 -0.5791878 ] [ 2.6826003 2.5738524 2.980219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.160296e-11 3.305967e-11 1.2280158e-10 ] [ 6.953992e-11 2.7645217e-10 1.5417338e-10 ] [ 2.577146e-10 3.24866e-12 2.712672e-10 ] [ 1.6920373e-10 3.4585935e-10 -5.791878000000001e-11 ] [ 2.6826003e-10 2.5738524e-10 2.980219e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.2e-06 4.3e-06 1.89e-05 ] [ -1.34e-05 1.28e-05 -1.08e-05 ] [ 4.1e-06 -8.1e-06 -2.27e-05 ] [ 9.4e-06 -1.32e-05 1.09e-05 ] [ -7.3e-06 4.1e-06 3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.15356717648e-14 6.8893595262e-15 3.02811383826e-14 ] [ -2.14691668956e-14 2.05078609152e-14 -1.73035076472e-14 ] [ 6.568924199399999e-15 -1.29776307354e-14 -3.636940959179999e-14 ] [ 1.50604603596e-14 -2.11487315688e-14 1.74637253106e-14 ] [ -1.16958894282e-14 6.568924199399999e-15 6.088271209199999e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.649402 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.866439968447287e-18 } }