{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0909404 0.3504436 2.335509 ] [ 2.174921 0.6476227 0.0631824 ] [ 2.07151 0.3484765 2.894541 ] [ 2.345183 1.577217 1.820601 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.09404e-12 3.504436000000001e-11 2.335509e-10 ] [ 2.174921e-10 6.476227e-11 6.31824e-12 ] [ 2.07151e-10 3.484765e-11 2.894541e-10 ] [ 2.345183e-10 1.577217e-10 1.820601e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.1147328 -1.6664772 -0.9942209 ] [ -0.9622008 -6.4326325 -11.6117971 ] [ -5.2112367 -54.2776316 48.7150201 ] [ 16.2881703 62.3767413 -36.109002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.620558841779892e-08 -2.669990808936246e-09 -1.592917481890735e-09 ] [ -1.541615626275057e-09 -1.030621340169826e-08 -1.860414983909324e-08 ] [ -8.349321606194943e-09 -8.69623523819153e-08 7.805006628602208e-08 ] [ 2.609652565026892e-08 9.99385565925498e-08 -5.785299880482044e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 10.812439 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.732343697962613e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1670242 -0.2768911 1.8624888 ] [ 1.4624026 0.8921307 -0.0143863 ] [ 1.8788745 0.5697494 3.571303 ] [ 3.1742531 1.7387708 1.6944278 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.670242e-11 -2.768911e-11 1.8624888e-10 ] [ 1.4624026e-10 8.921307000000001e-11 -1.43863e-12 ] [ 1.8788745e-10 5.697494e-11 3.571303e-10 ] [ 3.1742531e-10 1.7387708e-10 1.6944278e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-07 4e-07 1e-07 ] [ 1e-07 0.0 -2e-07 ] [ -2e-07 -2e-07 2e-07 ] [ -6e-07 -3e-07 -2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.6130597248e-16 6.408706483200001e-16 1.6021766208e-16 ] [ 1.6021766208e-16 0.0 -3.2043532416e-16 ] [ -3.2043532416e-16 -3.2043532416e-16 3.2043532416e-16 ] [ -9.6130597248e-16 -4.8065298624e-16 -3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.704511 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.715051726129643e-18 } }