{ "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" [ [ 0.2422976 0.2155702 0.7539187 ] [ 0.1069263 2.303076 0.5134626 ] [ 0.4438839 2.233015 2.726304 ] [ 2.36111 0.1695128 0.2725886 ] [ 2.483594 1.001172 2.982027 ] [ 2.63043 2.516837 1.068712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.422976e-11 2.155702e-11 7.539187e-11 ] [ 1.069263e-11 2.303076e-10 5.134626e-11 ] [ 4.438839e-11 2.233015e-10 2.726304e-10 ] [ 2.36111e-10 1.695128e-11 2.725886e-11 ] [ 2.483594e-10 1.001172e-10 2.982027e-10 ] [ 2.63043e-10 2.516837e-10 1.068712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.7024066 -10.1681098 -0.0612517 ] [ 0.0348617 9.031726 -3.7214865 ] [ -4.3631937 1.9257244 7.6240962 ] [ 6.8155553 -1.1409493 -2.3531845 ] [ 1.9436751 -0.8368 2.3824088 ] [ 2.2715083 1.1884087 -3.8705824 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.073843915761562e-08 -1.629110779928736e-08 -9.813604172425536e-11 ] [ 5.585460070134336e-11 1.44704202426715e-08 -5.962478664922819e-09 ] [ -6.990606938161849e-09 3.085350611784107e-09 1.221514868637012e-08 ] [ 1.091972335942953e-08 -1.828002293978125e-09 -3.770217190328937e-09 ] [ 3.114110803651102e-09 -1.34070139628544e-09 3.817039680548183e-09 ] [ 3.639357492213152e-09 1.904040635095321e-09 -6.201356630159954e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.176959 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.790746240144015e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0742494 0.0821625 -0.0731809 ] [ 0.2739832 2.3702939 0.8502053 ] [ 0.1221412 2.2003975 3.3316437 ] [ 2.5331544 -0.2142806 -0.0389842 ] [ 2.7295732 1.9042113 3.3656792 ] [ 2.6836392 2.0963984 0.8816498 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.424939999999999e-12 8.21625e-12 -7.31809e-12 ] [ 2.739832e-11 2.3702939e-10 8.502053e-11 ] [ 1.221412e-11 2.2003975e-10 3.3316437e-10 ] [ 2.5331544e-10 -2.142806e-11 -3.89842e-12 ] [ 2.7295732e-10 1.9042113e-10 3.3656792e-10 ] [ 2.6836392e-10 2.0963984e-10 8.816498e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.25e-05 2.2e-06 2.5e-05 ] [ -2.17e-05 -2.12e-05 1.45e-05 ] [ -8.4e-06 4.3e-05 -8.5e-06 ] [ 7.9e-06 1.47e-05 -3.5e-05 ] [ -1.14e-05 -2.25e-05 -3.8e-06 ] [ 1.11e-05 -1.61e-05 7.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.604897396800001e-14 3.52478856576e-15 4.005441552e-14 ] [ -3.476723267136e-14 -3.396614436096001e-14 2.32315610016e-14 ] [ -1.345828361472e-14 6.889359469439999e-14 -1.36185012768e-14 ] [ 1.265719530432e-14 2.355199632576e-14 -5.6076181728e-14 ] [ -1.826481347712e-14 -3.604897396800001e-14 -6.08827115904e-15 ] [ 1.778416049088e-14 -2.579504359488e-14 1.249697764224e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.238735 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.761949818916669e-18 } }