{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5748943 -7.2705988 0.7471424 ] [ -7.2549479 2.2332939 2.0403006 ] [ -5.0210801 5.6935782 1.472085 ] [ -1.0505278 -5.997929 -11.1799227 ] [ 3.9028114 -0.5036135 8.5738869 ] [ 3.624839 5.962374 -4.0203655 ] [ 6.3737997 -0.1171047 2.3668733 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.210822068911814e-10 -1.164878341657654e-08 1.197054085688402e-09 ] [ -1.162370791050206e-08 3.578131273955253e-09 3.268921920724213e-09 ] [ -8.044657147384125e-09 9.122117880736547e-09 2.358540170830368e-09 ] [ -1.683131080660458e-09 -9.609741617018325e-09 -1.791221077229121e-08 ] [ 6.252993180471718e-09 -8.068777756192609e-10 1.373688114056339e-08 ] [ 5.807632299964052e-09 9.55277622726578e-09 -6.441335611170902e-09 ] [ 1.021195286500205e-08 -1.876224125257978e-10 3.792149065655744e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.49007015 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.851789368819491e-20 } "relaxed-configuration-positions" { "source-value" [ [ 3.4118354 0.6353957 3.3745909 ] [ 1.3879634 3.3484195 3.9647358 ] [ 2.1961442 5.4303735 3.0066828 ] [ 2.3712793 2.2042291 1.83785 ] [ 3.4028942 2.3988379 5.0487939 ] [ 3.9149357 4.1415081 1.8676731 ] [ 5.0894329 3.6672109 3.9059955 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.4118354e-10 6.353957e-11 3.3745909e-10 ] [ 1.3879634e-10 3.3484195e-10 3.964735800000001e-10 ] [ 2.1961442e-10 5.4303735e-10 3.0066828e-10 ] [ 2.3712793e-10 2.2042291e-10 1.83785e-10 ] [ 3.4028942e-10 2.3988379e-10 5.0487939e-10 ] [ 3.9149357e-10 4.141508100000001e-10 1.8676731e-10 ] [ 5.089432900000001e-10 3.6672109e-10 3.9059955e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-06 -9e-07 -5.9e-06 ] [ -2.29e-05 -1.1e-05 1.76e-05 ] [ -7e-06 7.8e-06 -7.8e-06 ] [ -2.47e-05 -1.4e-05 -1.4e-05 ] [ 6.6e-06 6.1e-06 -8e-07 ] [ 2.44e-05 6e-06 -7.1e-06 ] [ 2.57e-05 6e-06 1.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-15 -1.44195895872e-15 -9.45284206272e-15 ] [ -3.668984461632e-14 -1.76239428288e-14 2.819830852608e-14 ] [ -1.12152363456e-14 1.249697764224e-14 -1.249697764224e-14 ] [ -3.957376253376001e-14 -2.24304726912e-14 -2.24304726912e-14 ] [ 1.057436569728e-14 9.77327738688e-15 -1.28174129664e-15 ] [ 3.909310954752e-14 9.6130597248e-15 -1.137545400768e-14 ] [ 4.117593915456e-14 9.6130597248e-15 2.867896151232001e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }