{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7936161 -1.256389 -0.8531633 ] [ 2.520893 -5.8574989 -1.1056777 ] [ -12.418289 5.0912312 1.7982761 ] [ 23.7346344 -46.4541736 -24.2644406 ] [ 0.34789 -5.4067152 25.6208372 ] [ -10.1738193 51.878619 8.9968447 ] [ -3.2176931 2.0049266 -10.1926764 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.271513161310475e-09 -2.012957082430291e-09 -1.366918292984577e-09 ] [ 4.038915828138374e-09 -9.384747793941718e-09 -1.771490961079916e-09 ] [ -1.989629230613781e-08 8.15705159972753e-09 2.881155925163403e-09 ] [ 3.802707633891544e-08 -7.442779088050457e-08 -3.887591944611033e-08 ] [ 5.573812246101119e-10 -8.662512688763995e-09 4.104910636716293e-08 ] [ -1.630025542670382e-08 8.311871048119068e-08 1.441453423930839e-08 ] [ -5.155312657729477e-09 3.212246524940033e-09 -1.633046783145991e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.9029495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.25321444106305e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0404311 1.2735516 0.4341346 ] [ 2.8813691 0.8818167 2.8074445 ] [ 2.065764 3.377411 3.2289993 ] [ 5.0660862 2.1397614 1.9616143 ] [ 4.2850301 2.4863216 4.5635877 ] [ 4.4866447 4.6271923 2.9501391 ] [ 3.1323047 3.5468523 0.7990404 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0404311e-10 1.2735516e-10 4.341346e-11 ] [ 2.8813691e-10 8.818167000000001e-11 2.8074445e-10 ] [ 2.065764e-10 3.377411e-10 3.2289993e-10 ] [ 5.0660862e-10 2.1397614e-10 1.9616143e-10 ] [ 4.2850301e-10 2.4863216e-10 4.563587700000001e-10 ] [ 4.4866447e-10 4.6271923e-10 2.9501391e-10 ] [ 3.1323047e-10 3.5468523e-10 7.990404e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.61e-05 4.27e-05 6.85e-05 ] [ -3.46e-05 1.74e-05 -3e-05 ] [ 1.2e-06 1.47e-05 2.01e-05 ] [ 2.81e-05 4e-06 -4e-06 ] [ -1.86e-05 -4.57e-05 -5.34e-05 ] [ -3.3e-06 5.56e-05 2.24e-05 ] [ -1.9e-05 -8.86e-05 -2.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.386034221888001e-14 6.841294170816001e-14 1.097490985248e-13 ] [ -5.543531107968001e-14 2.787787320192e-14 -4.8065298624e-14 ] [ 1.92261194496e-15 2.355199632576e-14 3.220375007808e-14 ] [ 4.502116304448e-14 6.4087064832e-15 -6.4087064832e-15 ] [ -2.980048514688e-14 -7.321947157056e-14 -8.555623155072e-14 ] [ -5.28718284864e-15 8.908102011648e-14 3.588875630592e-14 ] [ -3.04413557952e-14 -1.4195284860288e-13 -3.797158591296e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.564128 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.775389497113867e-18 } }