{ "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" [ [ 0.4523459 0.4778673 0.765296 ] [ 0.8876723 1.989638 2.471047 ] [ 2.135329 1.164008 0.2412907 ] [ 2.495776 0.5844002 2.912252 ] [ 2.604983 2.71818 1.724062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.523459e-11 4.778673e-11 7.65296e-11 ] [ 8.876723e-11 1.989638e-10 2.471047e-10 ] [ 2.135329e-10 1.164008e-10 2.412907e-11 ] [ 2.495776e-10 5.844002e-11 2.912252e-10 ] [ 2.604983e-10 2.71818e-10 1.724062e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.273646 -1.5991608 0.526855 ] [ -4.9267708 0.1509389 2.3473863 ] [ 4.7746038 0.3735809 -5.1998121 ] [ 2.2372765 -1.8479989 2.9500005 ] [ 3.1885364 2.9226398 -0.6244298 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.449312397187563e-09 -2.562138067768747e-09 8.441147705060699e-10 ] [ -7.893557056833486e-09 2.418307787416625e-10 3.760927480831714e-09 ] [ 7.64975864496761e-09 5.985425888886905e-10 -8.331017447810471e-09 ] [ 3.584512132097301e-09 -2.960820657237702e-09 4.726421871388316e-09 ] [ 5.108598516738477e-09 4.682585197158433e-09 -1.000446835133293e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.790308632689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.408362709694388e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6630224 0.2476451 1.3175973 ] [ 0.4064215 2.4319428 2.2340406 ] [ 2.1628484 1.4355454 -0.1023556 ] [ 2.5763864 0.2929737 2.7366872 ] [ 2.7674275 2.5259865 1.9279782 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.630224000000001e-11 2.476451e-11 1.3175973e-10 ] [ 4.064215e-11 2.4319428e-10 2.2340406e-10 ] [ 2.1628484e-10 1.4355454e-10 -1.023556e-11 ] [ 2.5763864e-10 2.929737e-11 2.7366872e-10 ] [ 2.7674275e-10 2.5259865e-10 1.9279782e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.19e-05 3.68e-05 -2.8e-06 ] [ 1.85e-05 -1.63e-05 -9.2e-06 ] [ 4.3e-06 -3.6e-05 2.55e-05 ] [ 1.87e-05 2.02e-05 -3.7e-05 ] [ -2.96e-05 -4.7e-06 2.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.90659019446e-14 5.896010013119999e-14 -4.486094575199999e-15 ] [ 2.9640267729e-14 -2.61154791342e-14 -1.47400250328e-14 ] [ 6.8893595262e-15 -5.7678358824e-14 4.0855504167e-14 ] [ 2.99607030558e-14 3.236396800679999e-14 -5.9280535458e-14 ] [ -4.74244283664e-14 -7.530230179799999e-15 3.749093323559999e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }