{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.413305 1.605976 1.085725 ] [ 1.596802 1.851301 3.402769 ] [ 1.403818 3.874197 1.795071 ] [ 3.61937 1.350758 2.07249 ] [ 3.606514 2.808679 3.770695 ] [ 3.997077 3.808366 1.42443 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.413305e-10 1.605976e-10 1.085725e-10 ] [ 1.596802e-10 1.851301e-10 3.402769e-10 ] [ 1.403818e-10 3.874197e-10 1.795071e-10 ] [ 3.61937e-10 1.350758e-10 2.07249e-10 ] [ 3.606514e-10 2.808679e-10 3.770695e-10 ] [ 3.997077e-10 3.808366e-10 1.42443e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1463605 -0.4110591 -1.0965485 ] [ -2.1202361 0.0922192 0.8136587 ] [ 1.1839601 -0.3335041 -0.0297291 ] [ 0.5748197 -1.2620424 -2.5536039 ] [ 1.9877064 2.6431538 1.5152005 ] [ -1.4798896 -0.7287674 1.3510223 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.344953713085984e-10 -6.585892797870893e-10 -1.756864370273309e-09 ] [ -3.396992709996171e-09 1.477514462288794e-10 1.303624946450521e-09 ] [ 1.89691319218003e-09 -5.343324719609453e-10 -4.763126897742528e-11 ] [ 9.209626845152698e-10 -2.022014827738322e-09 -4.091324467363702e-09 ] [ 3.184656723094533e-09 4.234799223538678e-09 2.42761881692447e-09 ] [ -2.371044518485064e-09 -1.167614090281202e-09 2.164576343239444e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.797762 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.691298155816265e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3501225 1.4628103 1.034189 ] [ 1.5855433 2.089191 3.4024857 ] [ 1.4438789 3.7904187 1.6110285 ] [ 3.6094636 1.3569357 1.8941947 ] [ 3.8532258 2.7812875 3.8862787 ] [ 3.7946518 3.8186339 1.7230034 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3501225e-10 1.4628103e-10 1.034189e-10 ] [ 1.5855433e-10 2.089191e-10 3.4024857e-10 ] [ 1.4438789e-10 3.7904187e-10 1.6110285e-10 ] [ 3.6094636e-10 1.3569357e-10 1.8941947e-10 ] [ 3.8532258e-10 2.7812875e-10 3.8862787e-10 ] [ 3.7946518e-10 3.8186339e-10 1.7230034e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.15e-05 -1.24e-05 -3.7e-06 ] [ -3.3e-06 1.62e-05 -1e-05 ] [ 4.7e-06 2.1e-06 2.43e-05 ] [ -2.9e-06 3.9e-06 -1.76e-05 ] [ -2.6e-06 -8.7e-06 4.94e-05 ] [ -7.4e-06 -1e-06 -4.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.84250311392e-14 -1.986699009792e-14 -5.928053496960001e-15 ] [ -5.28718284864e-15 2.595526125696e-14 -1.6021766208e-14 ] [ 7.53023011776e-15 3.36457090368e-15 3.893289188544e-14 ] [ -4.646312200320001e-15 6.24848882112e-15 -2.819830852608e-14 ] [ -4.16565921408e-15 -1.393893660096e-14 7.914752506752001e-14 ] [ -1.185610699392e-14 -1.6021766208e-15 -6.8092506384e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.800889 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.85201681852559e-18 } }