{ "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" [ [ 0.3527209 0.4565602 1.167471 ] [ 0.6414148 2.926013 0.4472085 ] [ 0.2560781 2.125953 2.651252 ] [ 2.793307 0.1807352 2.367537 ] [ 2.546309 2.149048 0.8335699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.527209e-11 4.565602e-11 1.167471e-10 ] [ 6.414148e-11 2.926013000000001e-10 4.472085e-11 ] [ 2.560781e-11 2.125953e-10 2.651252e-10 ] [ 2.793307e-10 1.807352e-11 2.367537e-10 ] [ 2.546309e-10 2.149048e-10 8.335699e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0169728 -1.7415528 -0.7524079 ] [ -3.5507742 1.9507653 -0.4474528 ] [ -0.7193082 1.2303286 1.0671771 ] [ 0.0 0.0 0.0 ] [ 4.2870553 -1.4395411 0.1326836 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.71934235735552e-11 -2.790275203037275e-09 -1.205490356617008e-09 ] [ -5.688967455850043e-09 3.125470582078e-09 -7.168984209778751e-10 ] [ -1.152458790684598e-09 1.971203735061932e-09 1.709806213959881e-09 ] [ 0.0 0.0 0.0 ] [ 6.868619830325859e-09 -2.306399114102657e-09 2.125825636350024e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.7198157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.164155065326353e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.8868766 -0.1545962 2.3195505 ] [ 1.0709408 3.193265 0.9788827 ] [ -0.7755986 2.0640404 1.7424237 ] [ 3.9686455 0.3539345 1.5954153 ] [ 3.2127186 2.3816657 0.8307663 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.868766e-11 -1.545962e-11 2.3195505e-10 ] [ 1.0709408e-10 3.193265e-10 9.788827000000001e-11 ] [ -7.755986000000001e-11 2.0640404e-10 1.7424237e-10 ] [ 3.9686455e-10 3.539345e-11 1.5954153e-10 ] [ 3.2127186e-10 2.3816657e-10 8.307663e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.6e-06 -2.55e-05 6.7e-06 ] [ -1.92e-05 2.72e-05 -5.8e-06 ] [ -8e-06 1.48e-05 -1.1e-06 ] [ 9.3e-06 -2.02e-05 7.2e-06 ] [ 1.95e-05 3.8e-06 -7.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.5634826144e-15 -4.0855504167e-14 1.07345834478e-14 ] [ -3.076179137279999e-14 4.35792044448e-14 -9.2926244772e-15 ] [ -1.2817413072e-14 2.37122141832e-14 -1.7623942974e-15 ] [ 1.49002426962e-14 -3.236396800679999e-14 1.15356717648e-14 ] [ 3.1242444363e-14 6.088271209199999e-15 -1.13754541014e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.663724 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.708516942422502e-18 } }