{ "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" [ [ -0.8382971 -2.1297856 -0.8264382 ] [ -3.4380813 0.8817866 1.70743 ] [ -4.8014859 2.3068769 1.846225 ] [ -1.9306348 -6.8513282 -4.0590706 ] [ 1.5141426 0.3955716 3.4465055 ] [ 5.0186711 4.9791833 -3.5985379 ] [ 4.4756855 0.4176954 1.4838862 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.34310001490444e-09 -3.4122926956365e-09 -1.324099962576035e-09 ] [ -5.508413479269671e-09 1.412777875054721e-09 2.735604427652544e-09 ] [ -7.692828454080848e-09 3.696024236243579e-09 2.95797853173648e-09 ] [ -3.093217939862884e-09 -1.097703786346775e-08 -6.503348017496628e-09 ] [ 2.425923874277326e-09 6.337755693724494e-10 5.521910535558615e-09 ] [ 8.040797503904619e-09 7.977531073937792e-09 -5.765493292442728e-09 ] [ 7.170838670153558e-09 6.692218044957043e-10 2.377447777567753e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.794835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.049958550399357e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5005309 0.6577402 3.7230248 ] [ 1.5191703 3.0904402 3.8751622 ] [ 1.7845729 5.2458326 2.9844444 ] [ 3.2839365 2.2952638 1.9730387 ] [ 3.6926057 2.4085068 5.0974233 ] [ 3.8342034 4.8096914 1.9214102 ] [ 5.1594652 3.3184998 3.4318184 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5005309e-10 6.577402e-11 3.7230248e-10 ] [ 1.5191703e-10 3.0904402e-10 3.8751622e-10 ] [ 1.7845729e-10 5.2458326e-10 2.9844444e-10 ] [ 3.2839365e-10 2.2952638e-10 1.9730387e-10 ] [ 3.6926057e-10 2.4085068e-10 5.0974233e-10 ] [ 3.8342034e-10 4.8096914e-10 1.9214102e-10 ] [ 5.1594652e-10 3.3184998e-10 3.4318184e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.75e-05 -1.86e-05 2.82e-05 ] [ -6.33e-05 3.97e-05 4e-05 ] [ 2.74e-05 2.08e-05 2.16e-05 ] [ 6.38e-05 -1.07e-05 -8.64e-05 ] [ -2.87e-05 -2.42e-05 1.61e-05 ] [ -2.09e-05 -2.52e-05 -1.02e-05 ] [ -5.9e-06 1.82e-05 -9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.4059857072e-14 -2.980048514688e-14 4.518138070656001e-14 ] [ -1.0141778009664e-13 6.360641184576e-14 6.4087064832e-14 ] [ 4.389963940992e-14 3.332527371264e-14 3.460701500928e-14 ] [ 1.0221886840704e-13 -1.714328984256e-14 -1.3842806003712e-13 ] [ -4.598246901696e-14 -3.877267422336e-14 2.579504359488e-14 ] [ -3.348549137472e-14 -4.037485084416e-14 -1.634220153216e-14 ] [ -9.45284206272e-15 2.915961449856e-14 -1.490024257344e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.227897 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.760213379895046e-18 } }