{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8930763 0.6663194 1.135783 ] [ 0.5039656 2.923467 0.251554 ] [ 2.725001 1.150605 0.7108826 ] [ 2.335544 1.922124 2.540194 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.930763e-11 6.663194e-11 1.135783e-10 ] [ 5.039656000000001e-11 2.923467e-10 2.51554e-11 ] [ 2.725001e-10 1.150605e-10 7.108826e-11 ] [ 2.335544e-10 1.922124e-10 2.540194e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.5824587 -5.5294017 -0.4195679 ] [ -2.0824053 1.8390243 -1.3308962 ] [ 12.5717743 -1.5178091 -9.2532026 ] [ 2.0930897 5.2081864 11.0036668 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.015932116132156e-08 -8.859078130751776e-09 -6.722218802181523e-10 ] [ -3.33638108669001e-09 2.946441738543085e-09 -2.132330776351561e-09 ] [ 2.014220286543429e-08 -2.431798254857489e-09 -1.482526487324577e-08 ] [ 3.353499382577286e-09 8.344434486848516e-09 1.762981769003315e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.8090817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.89846840485712e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6728155 0.5762343 0.277326 ] [ 0.3123936 2.7391557 1.2235831 ] [ 2.9164014 0.5921037 1.0956197 ] [ 2.5559764 2.7550217 2.0418849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.728155e-11 5.762343e-11 2.77326e-11 ] [ 3.123936e-11 2.7391557e-10 1.2235831e-10 ] [ 2.9164014e-10 5.921037e-11 1.0956197e-10 ] [ 2.5559764e-10 2.7550217e-10 2.0418849e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-06 7e-07 -3.5e-06 ] [ -1.11e-05 3.7e-06 9e-07 ] [ 6.7e-06 -9e-07 5.1e-06 ] [ 6.4e-06 -3.5e-06 -2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-15 1.12152363456e-15 -5.6076181728e-15 ] [ -1.778416049088e-14 5.928053496960001e-15 1.44195895872e-15 ] [ 1.073458335936e-14 -1.44195895872e-15 8.17110076608e-15 ] [ 1.025393037312e-14 -5.6076181728e-15 -4.005441552e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.6918948 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.392595063901309e-18 } }