{ "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" [ [ 2.03068 2.305251 2.057253 ] [ 2.579116 2.417689 4.578894 ] [ 0.1076423 2.252956 3.524492 ] [ 1.371288 4.166573 3.55215 ] [ 3.675708 3.460848 3.322007 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.03068e-10 2.305251e-10 2.057253e-10 ] [ 2.579116e-10 2.417689e-10 4.578894e-10 ] [ 1.076423e-11 2.252956e-10 3.524492e-10 ] [ 1.371288e-10 4.166573e-10 3.55215e-10 ] [ 3.675708000000001e-10 3.460848e-10 3.322007e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1877936 -6.651002 -13.5530815 ] [ 1.8241874 -9.0946535 16.0053622 ] [ -7.4040044 -3.5085545 0.5294759 ] [ -7.2588641 13.5818946 1.5162635 ] [ 13.0264747 5.6723154 -4.4980201 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.008785154558669e-10 -1.065607990929404e-08 -2.171443031909699e-08 ] [ 2.922670404237938e-09 -1.457124121197689e-08 2.564341712427605e-08 ] [ -1.186252274998033e-08 -5.621323992702634e-09 8.483139082570387e-10 ] [ -1.162998235458443e-08 2.176059399428977e-08 2.429321930672381e-09 ] [ 2.08707132157827e-08 9.0880511196838e-09 -7.206622644108478e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.9977768 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.200791282536638e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0895856 2.0851501 1.7299648 ] [ 2.5100909 2.0151719 4.9557307 ] [ 0.4392044 2.3038125 3.5908982 ] [ 1.2589814 4.6616769 3.5351896 ] [ 3.466572 3.5375056 3.2230128 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0895856e-10 2.0851501e-10 1.7299648e-10 ] [ 2.5100909e-10 2.0151719e-10 4.9557307e-10 ] [ 4.392044e-11 2.3038125e-10 3.5908982e-10 ] [ 1.2589814e-10 4.6616769e-10 3.5351896e-10 ] [ 3.466572000000001e-10 3.5375056e-10 3.2230128e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.04e-05 -2.26e-05 -3.3e-06 ] [ 6e-06 5.3e-06 -3.24e-05 ] [ -3.9e-06 3.9e-06 5.3e-06 ] [ 8.4e-06 -2.8e-06 -3.5e-06 ] [ -1e-07 1.61e-05 3.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.666263685632e-14 -3.620919163008e-14 -5.28718284864e-15 ] [ 9.6130597248e-15 8.491536090240001e-15 -5.191052251392001e-14 ] [ -6.24848882112e-15 6.24848882112e-15 8.491536090240001e-15 ] [ 1.345828361472e-14 -4.48609453824e-15 -5.6076181728e-15 ] [ -1.6021766208e-16 2.579504359488e-14 5.415356978304e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.458486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.835851837896411e-18 } }