{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -20.8082312 -3.4415973 3.9751877 ] [ 12.5678461 -35.5555146 -20.4482338 ] [ 9.8186158 -5.1042966 14.1704117 ] [ -3.6238434 -7.9183875 5.145129 ] [ 24.6031626 11.372892 -0.1512212 ] [ -7.2309936 8.242585 -25.2626594 ] [ -15.3265563 32.4043191 22.5713859 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.333846154884113e-08 -5.514046732268405e-09 6.368952796231725e-09 ] [ 2.013590919523246e-08 -5.696621423263307e-08 -3.276168213101234e-08 ] [ 1.573115668337749e-08 -8.17798467814893e-09 2.270350233285078e-08 ] [ -5.806037172920383e-09 -1.268665532693496e-08 8.243405394800083e-09 ] [ 3.941861191546094e-08 1.822138167328335e-08 -2.422830712093209e-10 ] [ -1.158532889107443e-08 1.320607698195677e-08 -4.047524226991336e-08 ] [ -2.455585018123495e-08 5.19174424749629e-08 3.616334678803477e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 17.330301 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.776620309362686e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9458086 2.6910509 3.7492035 ] [ 3.867695 0.9626211 1.0433364 ] [ 5.5481015 2.1434384 4.0700941 ] [ 3.5815953 1.0210073 3.3903256 ] [ 5.2566736 4.0212149 2.6636486 ] [ 4.9969639 2.9852753 0.5534373 ] [ 3.075098 4.7136946 3.2593225 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9458086e-10 2.6910509e-10 3.7492035e-10 ] [ 3.867695e-10 9.626211e-11 1.0433364e-10 ] [ 5.5481015e-10 2.1434384e-10 4.0700941e-10 ] [ 3.5815953e-10 1.0210073e-10 3.3903256e-10 ] [ 5.2566736e-10 4.021214900000001e-10 2.6636486e-10 ] [ 4.9969639e-10 2.9852753e-10 5.534373e-11 ] [ 3.075098e-10 4.713694600000001e-10 3.2593225e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7e-06 -3.97e-05 -1.85e-05 ] [ -1.23e-05 4.39e-05 1.95e-05 ] [ 1.12e-05 -3.32e-05 2.32e-05 ] [ 1.11e-05 3.01e-05 2.16e-05 ] [ -1.56e-05 7e-07 3.51e-05 ] [ -2.06e-05 -3e-06 -3.9e-05 ] [ 1.92e-05 1.1e-06 -4.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.12152363456e-14 -6.360641184576e-14 -2.96402674848e-14 ] [ -1.970677243584e-14 7.033555365312e-14 3.12424441056e-14 ] [ 1.794437815296e-14 -5.319226381056e-14 3.717049760256e-14 ] [ 1.778416049088e-14 4.822551628608e-14 3.460701500928e-14 ] [ -2.499395528448e-14 1.12152363456e-15 5.623639939008e-14 ] [ -3.300483838848e-14 -4.8065298624e-15 -6.248488821120001e-14 ] [ 3.076179111936e-14 1.76239428288e-15 -6.713120041152e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }