{ "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" [ [ 0.9066893 0.9379891 0.1369545 ] [ 0.7550462 2.78121 2.963246 ] [ 2.797941 0.0158314 0.1688765 ] [ 2.09203 0.1495358 1.796908 ] [ 2.487588 2.015226 1.460751 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.066893000000001e-11 9.379891e-11 1.369545e-11 ] [ 7.550462e-11 2.78121e-10 2.963246e-10 ] [ 2.797941e-10 1.58314e-12 1.688765e-11 ] [ 2.09203e-10 1.495358e-11 1.796908e-10 ] [ 2.487588e-10 2.015226e-10 1.460751e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.8058105 3.3911431 -20.4950517 ] [ -0.3786406 1.3218576 0.729691 ] [ -0.4744426 -7.4295831 9.8253446 ] [ 17.1598332 -5.2853871 -1.2467525 ] [ 5.4990606 8.0019696 11.1867684 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.493676006853185e-08 5.433210237370325e-09 -3.283669294636197e-08 ] [ -6.066491220037404e-10 2.117849360195318e-09 1.169093870240094e-09 ] [ -7.601408478942082e-10 -1.190350444318128e-08 1.574193753911807e-08 ] [ 2.749308379637745e-08 -8.46812371326502e-09 -1.997517723881084e-09 ] [ 8.810466402270019e-09 1.282056871909833e-08 1.792317894044957e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.80616795 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.29162345256968e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.9995663 1.4128774 -0.4556584 ] [ 0.5276315 2.6467418 3.1446716 ] [ 2.0968043 -0.6985666 0.4048412 ] [ 3.0835946 0.1628008 1.9097131 ] [ 2.3316978 2.3759388 1.5231686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.995663e-11 1.4128774e-10 -4.556584000000001e-11 ] [ 5.276315e-11 2.6467418e-10 3.1446716e-10 ] [ 2.0968043e-10 -6.985666e-11 4.048412000000001e-11 ] [ 3.0835946e-10 1.628008e-11 1.9097131e-10 ] [ 2.3316978e-10 2.3759388e-10 1.5231686e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.6e-05 2.23e-05 -3e-07 ] [ 6.58e-05 -5.18e-05 -4.09e-05 ] [ 0.0001222 4.87e-05 0.0001058 ] [ -0.0001512 -4.15e-05 -6.21e-05 ] [ 9.2e-06 2.22e-05 -2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.370012516399999e-14 3.572853893819999e-14 -4.806529901999999e-16 ] [ 1.054232225172e-13 -8.299274964119999e-14 -6.552902433059999e-14 ] [ 1.957859846748e-13 7.802600207579999e-14 1.695102878772e-13 ] [ -2.422491070608e-13 -6.649033031099999e-14 -9.949516897139999e-14 ] [ 1.47400250328e-14 3.55683212748e-14 -4.165659248399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.614052 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.860776274046096e-18 } }