{ "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" [ [ 0.223645 0.1945873 1.126976 ] [ 0.7288277 2.388611 0.0814776 ] [ 2.404153 0.5300895 0.5572584 ] [ 2.145602 0.6403931 2.690423 ] [ 2.26761 2.998114 1.480003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.23645e-11 1.945873e-11 1.126976e-10 ] [ 7.288277e-11 2.388611e-10 8.14776e-12 ] [ 2.404153e-10 5.300895e-11 5.572584000000001e-11 ] [ 2.145602e-10 6.403931000000001e-11 2.690423e-10 ] [ 2.26761e-10 2.998114e-10 1.480003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5155081 0.0928146 0.4981654 ] [ -2.1933707 -1.658948 -1.9757488 ] [ 1.9558538 1.286395 -4.5601904 ] [ -0.7023458 1.0181664 3.7025403 ] [ 2.4553708 -0.7384281 2.3352335 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.428111666457735e-09 1.487053834140564e-10 7.981489637472635e-10 ] [ -3.514167285240223e-09 -2.657927722621032e-09 -3.165498562013539e-09 ] [ 3.133623257880109e-09 2.06103201109443e-09 -7.306230505471112e-09 ] [ -1.125282029748037e-09 1.631282415603897e-09 5.932123555103349e-09 ] [ 3.933937723565887e-09 -1.183092247709015e-09 3.741456548634039e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.048501 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.090600341092563e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2287328 0.2026255 1.2099759 ] [ 0.6332307 2.2810826 0.0210142 ] [ 2.4894913 0.6907839 0.3524816 ] [ 2.0069425 0.7494229 2.770814 ] [ 2.4114404 2.82788 1.5818522 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.287328e-11 2.026255e-11 1.2099759e-10 ] [ 6.332307000000001e-11 2.2810826e-10 2.10142e-12 ] [ 2.4894913e-10 6.907839e-11 3.524816e-11 ] [ 2.0069425e-10 7.494229e-11 2.770814e-10 ] [ 2.4114404e-10 2.82788e-10 1.5818522e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.7e-06 1e-06 0.0 ] [ 2e-06 -1.4e-06 1e-06 ] [ -3.4e-06 2.3e-06 2.2e-06 ] [ -5e-07 8e-07 -2.6e-06 ] [ -9e-07 -2.7e-06 -7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.3258769118e-15 1.602176634e-15 0.0 ] [ 3.204353268e-15 -2.2430472876e-15 1.602176634e-15 ] [ -5.4474005556e-15 3.685006258199999e-15 3.5247885948e-15 ] [ -8.010883169999999e-16 1.2817413072e-15 -4.165659248399999e-15 ] [ -1.4419589706e-15 -4.3258769118e-15 -1.1215236438e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.391586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.305786281540152e-18 } }