{ "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" [ [ 0.2245113 0.4062398 2.51204 ] [ 0.3734712 1.938106 1.147246 ] [ 0.9603572 2.15083 2.976354 ] [ 2.053947 0.3264748 1.110732 ] [ 2.246066 2.745531 0.3277405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.245113e-11 4.062398e-11 2.51204e-10 ] [ 3.734712e-11 1.938106e-10 1.147246e-10 ] [ 9.603572000000001e-11 2.15083e-10 2.976354000000001e-10 ] [ 2.053947e-10 3.264748e-11 1.110732e-10 ] [ 2.246066e-10 2.745531e-10 3.277405e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.6168412 -67.7569527 23.5143718 ] [ -23.6789543 33.0272983 -63.912496 ] [ 24.6804846 41.2053516 50.1401102 ] [ 12.8422289 -9.3375863 -5.8333346 ] [ 7.773082 2.8618891 -3.9086515 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.463399758618621e-08 -1.085586055125914e-07 3.767417675075881e-08 ] [ -3.793786698445163e-08 5.291556518444758e-08 -1.023991068681735e-07 ] [ 3.954249541613444e-08 6.601825098536388e-08 8.033331232677561e-08 ] [ 2.05755189025421e-08 -1.496046246456237e-08 -9.346032317423718e-09 ] [ 1.245385025196131e-08 4.585251807342354e-09 -6.262350052154851e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 14.65509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.348004257371987e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5731987 0.0986586 2.7515281 ] [ 0.2759533 2.2363807 1.0438913 ] [ 0.3856872 2.5445716 3.6101707 ] [ 1.9684882 0.1155419 0.5838876 ] [ 2.6550253 2.5720287 0.0846349 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.731987e-11 9.86586e-12 2.7515281e-10 ] [ 2.759533e-11 2.2363807e-10 1.0438913e-10 ] [ 3.856872e-11 2.5445716e-10 3.6101707e-10 ] [ 1.9684882e-10 1.155419e-11 5.838876e-11 ] [ 2.6550253e-10 2.5720287e-10 8.46349e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.3e-06 2.7e-06 2.5e-06 ] [ 3.3e-06 6.4e-06 -5e-07 ] [ -3.4e-06 -4.1e-06 4e-07 ] [ 1.4e-06 -5.6e-06 -9e-07 ] [ -2.7e-06 6e-07 -1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.08282960704e-15 4.32587687616e-15 4.005441552e-15 ] [ 5.28718284864e-15 1.025393037312e-14 -8.010883104e-16 ] [ -5.44740051072e-15 -6.568924145279999e-15 6.408706483200001e-16 ] [ 2.24304726912e-15 -8.972189076479999e-15 -1.44195895872e-15 ] [ -4.32587687616e-15 9.6130597248e-16 -2.56348259328e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.638041 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.505490368531185e-18 } }