{ "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" [ [ 0.9991242 0.9479007 1.187372 ] [ 1.085399 0.1016804 2.948528 ] [ 2.969901 0.5974891 1.991295 ] [ 2.924101 2.886024 0.3835606 ] [ 2.264584 2.996261 2.274235 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.991242000000001e-11 9.479007e-11 1.187372e-10 ] [ 1.085399e-10 1.016804e-11 2.948528e-10 ] [ 2.969901e-10 5.974891e-11 1.991295e-10 ] [ 2.924101e-10 2.886024e-10 3.835606e-11 ] [ 2.264584e-10 2.996261e-10 2.274235e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7341978 6.691408 -8.9924028 ] [ -1.5311457 -2.6733237 8.4630964 ] [ 5.790112 2.3885838 -1.0875741 ] [ 0.7458337 -3.5729696 -4.2893085 ] [ -3.2706023 -2.8336985 5.906189 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.778491171002794e-09 1.072081745783409e-08 -1.440741753097646e-08 ] [ -2.453165843578451e-09 -4.283136731970553e-09 1.355937519165664e-08 ] [ 9.27678207821353e-09 3.826933121181623e-09 -1.742485796407601e-09 ] [ 1.194957317144761e-09 -5.724528359949128e-09 -6.872229798098716e-09 ] [ -5.240082540994708e-09 -4.540085487096029e-09 9.46275793382613e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.008861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.924031633663691e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9970378 1.2004485 0.8602192 ] [ 1.1900664 0.4094323 3.1371816 ] [ 3.194915 0.6774278 1.8119329 ] [ 2.9071774 2.60231 0.3768144 ] [ 1.9539125 2.6397366 2.5988425 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.970378e-11 1.2004485e-10 8.602192e-11 ] [ 1.1900664e-10 4.094323000000001e-11 3.1371816e-10 ] [ 3.194915e-10 6.774278e-11 1.8119329e-10 ] [ 2.9071774e-10 2.60231e-10 3.768144e-11 ] [ 1.9539125e-10 2.6397366e-10 2.5988425e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9e-06 3.1e-06 -3.1e-06 ] [ -2.3e-06 1.6e-06 3.9e-06 ] [ -5e-07 6.5e-06 -9.7e-06 ] [ -3.1e-06 -1.09e-05 2.7e-06 ] [ -3e-06 -2e-07 6.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.44195895872e-14 4.96674752448e-15 -4.96674752448e-15 ] [ -3.68500622784e-15 2.56348259328e-15 6.24848882112e-15 ] [ -8.010883104e-16 1.04141480352e-14 -1.554111322176e-14 ] [ -4.96674752448e-15 -1.746372516672e-14 4.32587687616e-15 ] [ -4.8065298624e-15 -3.2043532416e-16 9.77327738688e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.096417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.899365623764767e-18 } }