{ "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" [ [ 0.1837152 1.359189 0.2246076 ] [ 1.439885 0.3143995 0.1278355 ] [ 1.736921 1.45075 1.267781 ] [ 2.492617 0.9019618 2.872525 ] [ 2.597932 2.758406 2.155931 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.837152e-11 1.359189e-10 2.246076e-11 ] [ 1.439885e-10 3.143995e-11 1.278355e-11 ] [ 1.736921e-10 1.45075e-10 1.267781e-10 ] [ 2.492617e-10 9.019618e-11 2.872525e-10 ] [ 2.597932e-10 2.758406e-10 2.155931e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -154.4495695 57.4441255 -47.6061847 ] [ 66.055514 -123.3278964 -67.2900616 ] [ 53.5337279 34.137225 83.0109103 ] [ -0.5889278 -104.5773846 47.7256202 ] [ 35.4492554 136.3239306 -15.8402841 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.474554893455248e-07 9.20356348784011e-08 -7.627351613182667e-08 ] [ 1.058326002057271e-07 -1.975930723045245e-07 -1.078105635077118e-07 ] [ 8.577048726564868e-08 5.469386379398928e-08 1.329981397539859e-07 ] [ -9.435663524991783e-10 -1.6755144067053e-07 7.646487289762023e-08 ] [ 5.679596822664815e-08 2.184150144628817e-07 -2.537893285184997e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 96.5866 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.547487924025613e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.364281 1.3059669 0.3989727 ] [ 1.829528 0.2495052 -0.630876 ] [ 1.8896627 1.4775896 1.6308448 ] [ 2.1428774 0.0658106 3.6184061 ] [ 2.9532832 3.685834 1.6313326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.642810000000001e-11 1.3059669e-10 3.989727e-11 ] [ 1.829528e-10 2.495052e-11 -6.30876e-11 ] [ 1.8896627e-10 1.4775896e-10 1.6308448e-10 ] [ 2.1428774e-10 6.58106e-12 3.6184061e-10 ] [ 2.9532832e-10 3.685834e-10 1.6313326e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.8e-06 6e-06 -1.2e-06 ] [ 6.8e-06 -1.1e-05 -5.86e-05 ] [ -7.8e-06 -3.71e-05 9.63e-05 ] [ -8.2e-06 -9e-07 -6.6e-06 ] [ 1.3e-05 4.3e-05 -2.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.08827115904e-15 9.6130597248e-15 -1.92261194496e-15 ] [ 1.089480102144e-14 -1.76239428288e-14 -9.388754997888e-14 ] [ -1.249697764224e-14 -5.944075263168e-14 1.5428960858304e-13 ] [ -1.313784829056e-14 -1.44195895872e-15 -1.057436569728e-14 ] [ 2.08282960704e-14 6.889359469439999e-14 -4.774486329984001e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.626048 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.34335121602986e-18 } }