{ "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" [ [ 3.032432 2.348999 1.593337 ] [ 4.810482 1.062628 3.508091 ] [ 5.121871 3.223017 1.668157 ] [ 3.284691 4.649431 1.699114 ] [ 3.943916 3.285754 3.641374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.032432e-10 2.348999e-10 1.593337e-10 ] [ 4.810482000000001e-10 1.062628e-10 3.508091e-10 ] [ 5.121871e-10 3.223017e-10 1.668157e-10 ] [ 3.284691e-10 4.649431e-10 1.699114e-10 ] [ 3.943916e-10 3.285754e-10 3.641374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3114579 -5.1672637 -1.4879752 ] [ -0.1286205 0.8875683 -0.8477195 ] [ 7.4053114 -0.9971733 -2.2607537 ] [ -2.2359051 5.2991156 -0.938976 ] [ -0.7293279 -0.0222469 5.5354244 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.907717048943464e-09 -8.278869093648506e-09 -2.383999077770204e-09 ] [ -2.060727580556064e-10 1.4220411796232e-09 -1.358196363896265e-09 ] [ 1.186461679482372e-08 -1.597647748145985e-09 -3.622126723527097e-09 ] [ -3.582314877547486e-09 8.490119125236566e-09 -1.504405394692301e-09 ] [ -1.168512110277161e-09 -3.564346306527552e-11 8.868727559885867e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.0338269 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.126943301393414e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6298615 1.926726 1.52548 ] [ 4.5809713 1.633391 2.9800016 ] [ 5.7250243 3.2342512 1.5181929 ] [ 3.4964063 4.1945445 1.8640165 ] [ 3.7611286 3.5809162 4.2223821 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6298615e-10 1.926726e-10 1.52548e-10 ] [ 4.5809713e-10 1.633391e-10 2.9800016e-10 ] [ 5.7250243e-10 3.2342512e-10 1.5181929e-10 ] [ 3.4964063e-10 4.1945445e-10 1.8640165e-10 ] [ 3.7611286e-10 3.5809162e-10 4.2223821e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.61e-05 4.7e-06 -1.46e-05 ] [ -2.37e-05 9.3e-06 2e-06 ] [ -1.55e-05 -3.1e-06 8e-06 ] [ -1.23e-05 -1.77e-05 1.38e-05 ] [ 2.55e-05 6.8e-06 -9.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.181680980288e-14 7.53023011776e-15 -2.339177866368e-14 ] [ -3.797158591296e-14 1.490024257344e-14 3.2043532416e-15 ] [ -2.48337376224e-14 -4.96674752448e-15 1.28174129664e-14 ] [ -1.970677243584e-14 -2.835852618816e-14 2.211003736704e-14 ] [ 4.08555038304e-14 1.089480102144e-14 -1.474002491136e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.951916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.754690376816545e-18 } }