{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0293238 -0.9492614 -0.9546112 ] [ -5.2050103 2.3667787 -1.6344511 ] [ -2.0811975 -2.45162 1.8101003 ] [ -2.2867609 1.274793 1.9067035 ] [ 3.4182998 -1.3686009 -0.4571436 ] [ 3.4171468 -0.0406204 -1.9173785 ] [ 1.7081984 1.168531 1.2467806 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.649158527593015e-09 -1.520884422107877e-09 -1.529455746593833e-09 ] [ -8.339345813683194e-09 3.791997499747416e-09 -2.618679340260843e-09 ] [ -3.334445977767408e-09 -3.927928247085696e-09 2.900100381963066e-09 ] [ -3.663794851339567e-09 2.042443540959495e-09 3.054875770497533e-09 ] [ 5.476720022445317e-09 -2.192740365185838e-09 -7.324247882683469e-10 ] [ 5.474872712801533e-09 -6.508105520754432e-11 -3.071979005924573e-09 ] [ 2.736835540167967e-09 1.872193048880045e-09 1.997562728586996e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.607234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.141425191335487e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1385882 2.6839379 0.9351792 ] [ 1.8761794 4.8494099 2.1597041 ] [ 2.0826762 2.639838 3.3141293 ] [ 4.417333 3.1069017 0.999638 ] [ 4.361566 3.0629091 3.3724811 ] [ 4.0405722 5.394444 1.0301413 ] [ 3.984654 5.3503384 3.4090912 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1385882e-10 2.6839379e-10 9.351792e-11 ] [ 1.8761794e-10 4.8494099e-10 2.1597041e-10 ] [ 2.0826762e-10 2.639838e-10 3.3141293e-10 ] [ 4.417333000000001e-10 3.1069017e-10 9.99638e-11 ] [ 4.361566e-10 3.0629091e-10 3.3724811e-10 ] [ 4.0405722e-10 5.394444e-10 1.0301413e-10 ] [ 3.984654e-10 5.3503384e-10 3.4090912e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.9e-06 5.5e-06 9.1e-06 ] [ -6.8e-06 4.4e-06 -3.2e-06 ] [ -6e-06 -1.24e-05 2.4e-06 ] [ 6.1e-06 -3.5e-06 6.5e-06 ] [ -9.3e-06 7.6e-06 -8.2e-06 ] [ -4.2e-06 6.3e-06 5e-07 ] [ 1.22e-05 -7.9e-06 -7.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.265719530432e-14 8.8119714144e-15 1.457980724928e-14 ] [ -1.089480102144e-14 7.04957713152e-15 -5.126965186560001e-15 ] [ -9.6130597248e-15 -1.986699009792e-14 3.84522388992e-15 ] [ 9.77327738688e-15 -5.6076181728e-15 1.04141480352e-14 ] [ -1.490024257344e-14 1.217654231808e-14 -1.313784829056e-14 ] [ -6.72914180736e-15 1.009371271104e-14 8.010883104e-16 ] [ 1.954655477376e-14 -1.265719530432e-14 -1.137545400768e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.303661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.573440421244875e-18 } }