{ "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" [ [ 0.1763628 1.067324 0.504324 ] [ 1.023581 1.365666 2.808087 ] [ 2.247701 2.342025 0.8069591 ] [ 2.593324 2.758014 2.891704 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.763628e-11 1.067324e-10 5.04324e-11 ] [ 1.023581e-10 1.365666e-10 2.808087e-10 ] [ 2.247701e-10 2.342025e-10 8.069591000000001e-11 ] [ 2.593324e-10 2.758014000000001e-10 2.891704e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1773235 -1.0912472 -1.8101759 ] [ -10.8031606 -9.6297504 8.2866328 ] [ 4.9290899 3.128393 -12.8992876 ] [ 8.0513942 7.5926046 6.4228306 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.488456807618429e-09 -1.748370751353462e-09 -2.900221506515599e-09 ] [ -1.73085713440677e-08 -1.542856095501945e-08 1.327664933731444e-08 ] [ 7.89727259960141e-09 5.012238125274375e-09 -2.066693701769534e-08 ] [ 1.289975555208472e-08 1.216469358109854e-08 1.029050902667884e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.6175432 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.00029638137402e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.356883 1.0633136 0.6209218 ] [ 0.6249202 1.1763419 3.167026 ] [ 2.3955043 2.5902523 0.3385126 ] [ 2.6636612 2.7031212 2.8846136 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.56883e-11 1.0633136e-10 6.209218e-11 ] [ 6.249202000000001e-11 1.1763419e-10 3.167026e-10 ] [ 2.3955043e-10 2.5902523e-10 3.385126e-11 ] [ 2.6636612e-10 2.7031212e-10 2.8846136e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.96e-05 1.22e-05 -1.34e-05 ] [ 1.35e-05 -1.67e-05 1.06e-05 ] [ 1.53e-05 -1.49e-05 -4e-07 ] [ -9.1e-06 1.95e-05 3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.140266176767999e-14 1.954655477376e-14 -2.146916671872e-14 ] [ 2.16293843808e-14 -2.675634956736e-14 1.698307218048e-14 ] [ 2.451330229824e-14 -2.387243164992e-14 -6.408706483200001e-16 ] [ -1.457980724928e-14 3.12424441056e-14 5.126965186560001e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.704511 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.715051726129643e-18 } }