{ "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" [ [ 0.9561271 0.2009027 2.827783 ] [ 0.6408175 2.004915 2.928704 ] [ 2.494403 2.793601 0.1007886 ] [ 2.213716 1.735143 2.110523 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.561271000000001e-11 2.009027e-11 2.827783e-10 ] [ 6.408175e-11 2.004915e-10 2.928704e-10 ] [ 2.494403e-10 2.793601e-10 1.007886e-11 ] [ 2.213716e-10 1.735143e-10 2.110523e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0305218 -14.6412049 0.2678831 ] [ -14.5245039 14.4396164 6.9003713 ] [ -0.3453543 -0.1113018 0.0810863 ] [ 14.8393363 0.3128903 -7.2493407 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.89013147876212e-11 -2.34577963843863e-08 4.291960434634853e-10 ] [ -2.327082076902187e-08 2.31348160000032e-08 1.10556136627842e-08 ] [ -5.533185899114262e-10 -1.783251432821412e-10 1.299145751975142e-10 ] [ 2.377523788392801e-08 5.013055276652501e-10 -1.16147242814452e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.036754 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.865416302006036e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.9911651 0.0635195 2.5418336 ] [ 0.3783949 2.2222061 3.2347523 ] [ 2.4716849 2.5776447 -0.0013405 ] [ 2.4638187 1.8711914 2.1925532 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.911651e-11 6.351950000000001e-12 2.5418336e-10 ] [ 3.783949e-11 2.2222061e-10 3.2347523e-10 ] [ 2.4716849e-10 2.5776447e-10 -1.3405e-13 ] [ 2.4638187e-10 1.8711914e-10 2.1925532e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-07 3.1e-06 5e-07 ] [ 3e-07 -2.7e-06 -7e-07 ] [ -3e-07 -7e-07 1.6e-06 ] [ 6e-07 3e-07 -1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.613059803999998e-16 4.9667475654e-15 8.010883169999999e-16 ] [ 4.806529901999999e-16 -4.3258769118e-15 -1.1215236438e-15 ] [ -4.806529901999999e-16 -1.1215236438e-15 2.5634826144e-15 ] [ 9.613059803999998e-16 4.806529901999999e-16 -2.0828296242e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.4672565 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.356604051838462e-18 } }