{ "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" [ [ -5.3758325 -6.3181028 -4.8562967 ] [ -12.3315973 14.7293218 -6.8979855 ] [ -37.1304697 21.0235697 -8.6073276 ] [ 11.1414627 -3.2615735 -4.4887905 ] [ 43.6964368 -26.1732152 24.8504003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.613033148836816e-09 -1.012271659397102e-08 -7.78064503640819e-09 ] [ -1.97573968911804e-08 2.359897502819977e-08 -1.10517910987174e-08 ] [ -5.948957047266279e-08 3.368347185909927e-08 -1.379045904828657e-08 ] [ 1.785059105945524e-08 -5.225616808720828e-09 -7.191835194769143e-09 ] [ 7.000940945322477e-08 -4.19341134846072e-08 3.981473037818131e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 3.8523739 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.172183397160118e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8239743 0.3995306 -0.0550981 ] [ 0.9648816 3.233734 0.7888328 ] [ 0.4667719 3.0947266 2.7091999 ] [ 2.8164206 1.6818424 0.8872747 ] [ 2.2612509 1.4544592 3.3717498 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.239743000000001e-11 3.995306e-11 -5.50981e-12 ] [ 9.648816e-11 3.233734e-10 7.888328e-11 ] [ 4.667719e-11 3.0947266e-10 2.7091999e-10 ] [ 2.8164206e-10 1.6818424e-10 8.872747e-11 ] [ 2.2612509e-10 1.4544592e-10 3.3717498e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.52e-05 3.28e-05 4.1e-06 ] [ -5.5e-06 -5.3e-06 -0.000125 ] [ 5.4e-06 -3.4e-05 9e-05 ] [ 1.72e-05 -3e-06 4.58e-05 ] [ -1.9e-06 9.5e-06 -1.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.435308463616e-14 5.255139316223999e-14 6.568924145279999e-15 ] [ -8.8119714144e-15 -8.491536090240001e-15 -2.002720776e-13 ] [ 8.65175375232e-15 -5.44740051072e-14 1.44195895872e-13 ] [ 2.755743787776e-14 -4.8065298624e-15 7.337968923264e-14 ] [ -3.04413557952e-15 1.52206778976e-14 -2.4032649312e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.340315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.816918756550755e-18 } }