{ "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" [ [ 0.7859888 0.7922848 0.3283142 ] [ 1.326446 2.971813 1.139898 ] [ 0.4302915 2.603801 2.617302 ] [ 2.920361 1.53739 0.8701039 ] [ 1.870212 1.959004 2.746341 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.859888e-11 7.922848000000001e-11 3.283142e-11 ] [ 1.326446e-10 2.971813e-10 1.139898e-10 ] [ 4.302915e-11 2.603801e-10 2.617302e-10 ] [ 2.920361000000001e-10 1.53739e-10 8.701039000000001e-11 ] [ 1.870212e-10 1.959004e-10 2.746341e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2987115 0.5840613 1.4982766 ] [ 2.3899524 7.3811503 -13.0397477 ] [ -24.747085 5.3086299 6.5770809 ] [ 3.6590368 -2.3230925 -2.6515693 ] [ 18.9968074 -10.9507491 7.6159595 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.785885816640992e-10 9.35769359974055e-10 2.400503740011714e-09 ] [ 3.82912586010485e-09 1.182590644527091e-08 -2.089197890607057e-08 ] [ -3.964920101995036e-08 8.505362714259842e-09 1.053764525109022e-08 ] [ 5.862423215606846e-09 -3.722004491455824e-09 -4.248282340891022e-09 ] [ 3.043624068612044e-08 -1.754503418826664e-08 1.220211225585966e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.798171 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.730057712360056e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7479853 0.9129659 0.880874 ] [ 1.531349 3.2809264 0.940725 ] [ -0.0868062 2.4639332 2.4440056 ] [ 3.0201275 1.4817817 0.636779 ] [ 2.1206438 1.7246856 2.7995756 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.479853e-11 9.129659000000001e-11 8.808740000000001e-11 ] [ 1.531349e-10 3.2809264e-10 9.407250000000001e-11 ] [ -8.68062e-12 2.4639332e-10 2.4440056e-10 ] [ 3.0201275e-10 1.4817817e-10 6.36779e-11 ] [ 2.1206438e-10 1.7246856e-10 2.7995756e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.28e-05 -6e-07 3.5e-06 ] [ 9.7e-06 -1.5e-06 -5.9e-06 ] [ -1.15e-05 3.3e-06 2.8e-06 ] [ -1.75e-05 6.8e-06 7.8e-06 ] [ 6.5e-06 -7.9e-06 -8.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.050786074624e-14 -9.6130597248e-16 5.6076181728e-15 ] [ 1.554111322176e-14 -2.4032649312e-15 -9.45284206272e-15 ] [ -1.84250311392e-14 5.28718284864e-15 4.48609453824e-15 ] [ -2.8038090864e-14 1.089480102144e-14 1.249697764224e-14 ] [ 1.04141480352e-14 -1.265719530432e-14 -1.313784829056e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.115797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.383123628295878e-18 } }