{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2060479 0.4392103 0.536627 ] [ 0.8973674 2.787628 2.003299 ] [ 2.304853 0.5642387 2.192016 ] [ 2.056891 1.911825 0.3751916 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.060479e-11 4.392103e-11 5.36627e-11 ] [ 8.973674000000001e-11 2.787628e-10 2.003299e-10 ] [ 2.304853e-10 5.642387e-11 2.192016e-10 ] [ 2.056891e-10 1.911825e-10 3.751916e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9708288 -0.8908579 -0.2239903 ] [ -2.3274971 2.4634164 2.9073369 ] [ 0.8706493 -2.3168713 2.3883915 ] [ 2.4276766 0.7443128 -5.0717381 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.555439206159319e-09 -1.427311699834984e-09 -3.588720219459782e-10 ] [ -3.7290614385998e-09 3.946828163375301e-09 4.658067209969148e-09 ] [ 1.394933953375885e-09 -3.712037030262503e-09 3.826625022617443e-09 ] [ 3.889566691383233e-09 1.192520566722186e-09 -8.125820210640613e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.8385425 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.354376293047184e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.000185 0.0518184 0.3762801 ] [ 1.732408 2.7996302 2.1772849 ] [ 1.3879909 0.49918 2.681601 ] [ 1.3445754 2.3522734 -0.1280324 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.000185e-10 5.18184e-12 3.762801e-11 ] [ 1.732408e-10 2.7996302e-10 2.1772849e-10 ] [ 1.3879909e-10 4.9918e-11 2.681601e-10 ] [ 1.3445754e-10 2.3522734e-10 -1.280324e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.8e-06 1.57e-05 1.25e-05 ] [ -1.47e-05 -1.23e-05 -9.1e-06 ] [ 1.05e-05 -5.6e-06 1.8e-06 ] [ 1.1e-05 2.3e-06 -5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.089480102144e-14 2.515417294656e-14 2.002720776e-14 ] [ -2.355199632576e-14 -1.970677243584e-14 -1.457980724928e-14 ] [ 1.68228545184e-14 -8.972189076479999e-15 2.88391791744e-15 ] [ 1.76239428288e-14 3.68500622784e-15 -8.491536090240001e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.6379755 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.383956239714319e-18 } }