{ "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" [ [ 2.007741 0.810981 1.851579 ] [ 2.28758 2.972606 1.775704 ] [ 2.775609 2.277586 3.884458 ] [ 3.461309 1.568578 0.4572952 ] [ 4.556331 2.173826 2.191246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007741e-10 8.10981e-11 1.851579e-10 ] [ 2.28758e-10 2.972606e-10 1.775704e-10 ] [ 2.775609000000001e-10 2.277586e-10 3.884458e-10 ] [ 3.461309e-10 1.568578e-10 4.572952e-11 ] [ 4.556331e-10 2.173826e-10 2.191246e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.0284311 -14.6496694 0.8380851 ] [ -9.492842 15.5703918 -3.5017703 ] [ -1.7170852 1.4705447 16.5211922 ] [ 5.2535321 -4.2898385 -17.6113851 ] [ 16.9848263 1.8985714 3.7538781 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.766949447252363e-08 -2.347135781512916e-08 1.34276035346083e-09 ] [ -1.520920951734831e-08 2.494651771865603e-08 -5.610454506071803e-09 ] [ -2.751073763361693e-09 2.35607233818135e-09 2.646986789058332e-08 ] [ 8.417086307242328e-09 -6.873078951707741e-09 -2.821654946712547e-08 ] [ 2.721269160620897e-08 3.041846709999525e-09 6.014375729153125e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 86.477516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.385522543600579e-17 } "relaxed-configuration-positions" { "source-value" [ [ -1.067735 -3.3271814 2.0918798 ] [ -0.1521275 7.1089111 0.582325 ] [ 1.8737704 2.8074602 9.4208618 ] [ 4.7270875 0.4299834 -5.1402643 ] [ 9.7075747 2.7844037 3.2054799 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.067735e-10 -3.327181400000001e-10 2.0918798e-10 ] [ -1.521275e-11 7.108911100000001e-10 5.82325e-11 ] [ 1.8737704e-10 2.8074602e-10 9.420861800000001e-10 ] [ 4.7270875e-10 4.299834e-11 -5.140264300000001e-10 ] [ 9.707574700000002e-10 2.7844037e-10 3.2054799e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ -0.0 0.0 0.0 ] [ -0.0 -0.0 -0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 3.5527137e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.692074830535866e-34 } }