{ "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" [ [ 0.0909404 0.3504436 2.335509 ] [ 2.174921 0.6476227 0.0631824 ] [ 2.07151 0.3484765 2.894541 ] [ 2.345183 1.577217 1.820601 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.09404e-12 3.504436000000001e-11 2.335509e-10 ] [ 2.174921e-10 6.476227e-11 6.31824e-12 ] [ 2.07151e-10 3.484765e-11 2.894541e-10 ] [ 2.345183e-10 1.577217e-10 1.820601e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.7181148 -2.2068126 1.0975918 ] [ 1.1226176 -1.8281199 -10.2530962 ] [ 1.6989276 -12.8067227 16.1644452 ] [ 6.8965696 16.8416552 -7.0089409 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.557013633081047e-08 -3.535703554206862e-09 1.758535921141789e-09 ] [ 1.798631672818606e-09 -2.928970963799234e-09 -1.642727102245332e-08 ] [ 2.721982081151854e-09 -2.051863169900865e-08 2.589829618764278e-08 ] [ 1.104952257684001e-08 2.698330621701475e-08 -1.122956124654891e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 3.9543303 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.33553555758105e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.2920833 -0.1713759 2.5635651 ] [ 2.17371 0.9180895 -0.4564421 ] [ 1.8163168 0.5315865 3.3662155 ] [ 2.9846108 1.6454597 1.6404949 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.920833e-11 -1.713759e-11 2.5635651e-10 ] [ 2.17371e-10 9.180895e-11 -4.564421e-11 ] [ 1.8163168e-10 5.315865e-11 3.3662155e-10 ] [ 2.9846108e-10 1.6454597e-10 1.6404949e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.35e-05 -1.67e-05 1.75e-05 ] [ 1.19e-05 1.11e-05 -3.5e-06 ] [ -1.23e-05 -1.8e-06 1.13e-05 ] [ 2.39e-05 7.4e-06 -2.54e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.76511505888e-14 -2.675634956736e-14 2.8038090864e-14 ] [ 1.906590178752e-14 1.778416049088e-14 -5.6076181728e-15 ] [ -1.970677243584e-14 -2.88391791744e-15 1.810459581504e-14 ] [ 3.829202123712e-14 1.185610699392e-14 -4.069528616832e-14 ] ] } "relaxed-potential-energy" { "source-value" -4.25976 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.824887882219008e-19 } }