{ "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" [ [ 0.9541135 0.9980995 1.487518 ] [ 0.5060444 0.4713921 2.728449 ] [ 2.547937 2.415228 0.679434 ] [ 2.841188 2.325305 2.080908 ] [ 1.503866 2.653234 2.3648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.541135e-11 9.980995000000001e-11 1.487518e-10 ] [ 5.060444e-11 4.713921e-11 2.728449e-10 ] [ 2.547937e-10 2.415228e-10 6.79434e-11 ] [ 2.841188e-10 2.325305e-10 2.080908e-10 ] [ 1.503866e-10 2.653234e-10 2.3648e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 20.6536148 16.1913392 -65.4384714 ] [ -20.7395552 -24.343619 57.4627219 ] [ -14.5581498 0.1853881 -62.086467 ] [ 77.7403645 -19.8496627 47.1017764 ] [ -63.0962742 27.8165544 22.9604401 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.309073876756887e-08 2.594138512568258e-08 -1.048439889779694e-07 ] [ -3.322843046723107e-08 -3.900277722746267e-08 9.206542959571216e-08 ] [ -2.33247272516642e-08 2.970244795945325e-10 -9.947348589547072e-08 ] [ 1.245537944943703e-07 -3.18026655087058e-08 7.546536494622919e-08 ] [ -1.010913753828262e-07 4.456703313089138e-08 3.678668033149882e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 43.173713 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.917191360172903e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5582962 1.1790269 0.974454 ] [ 0.5675866 0.3133236 2.6848173 ] [ 2.7367724 1.7912209 0.2715567 ] [ 3.1305438 2.9421431 2.3084009 ] [ 1.3599499 2.6375441 3.1018801 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.582962e-11 1.1790269e-10 9.74454e-11 ] [ 5.675866000000001e-11 3.133236e-11 2.6848173e-10 ] [ 2.7367724e-10 1.7912209e-10 2.715567e-11 ] [ 3.1305438e-10 2.9421431e-10 2.3084009e-10 ] [ 1.3599499e-10 2.6375441e-10 3.1018801e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.48e-05 -2.09e-05 -3.54e-05 ] [ -2.9e-06 2e-07 -2.71e-05 ] [ 2.65e-05 -3.96e-05 -1.63e-05 ] [ -8.21e-05 2.71e-05 2.13e-05 ] [ 9.32e-05 3.33e-05 5.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.575574640383999e-14 -3.348549137472e-14 -5.671705237632e-14 ] [ -4.646312200320001e-15 3.2043532416e-16 -4.341898642368e-14 ] [ 4.24576804512e-14 -6.344619418368e-14 -2.611547891904e-14 ] [ -1.3153870056768e-13 4.341898642368e-14 3.412636202304e-14 ] [ 1.4932286105856e-13 5.335248147264001e-14 9.212515569600001e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.934396 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.751883363376904e-18 } }