{ "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" [ [ 2.298469 1.653345 1.333865 ] [ 0.8562694 1.609736 3.078689 ] [ 0.6106735 3.571622 1.917701 ] [ 2.573163 3.601998 2.791817 ] [ 3.634663 1.831744 3.381139 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.298469e-10 1.653345e-10 1.333865e-10 ] [ 8.562694e-11 1.609736e-10 3.078689e-10 ] [ 6.106735e-11 3.571622e-10 1.917701e-10 ] [ 2.573163e-10 3.601998e-10 2.791817e-10 ] [ 3.634663e-10 1.831744e-10 3.381139e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 35.522522 -42.3188187 -33.0893682 ] [ -45.4777623 -30.4501796 26.1438714 ] [ -51.9318368 16.2962489 -14.7199712 ] [ 24.759536 126.8339126 12.8599069 ] [ 37.127541 -70.3611632 8.8055612 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.691335472915095e-08 -6.780222249962225e-08 -5.301501256386264e-08 ] [ -7.286340812366609e-08 -4.878656625622346e-08 4.188709987938086e-08 ] [ -8.320397548166131e-08 2.61094692094282e-08 -2.358399390979294e-08 ] [ 3.966915004788182e-08 2.032103311665182e-07 2.060384235059537e-08 ] [ 5.948487866807699e-08 -1.127310116201007e-07 1.4108064403897e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 55.114978 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.830392993502405e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6608274 1.8407382 0.6525373 ] [ 0.5757019 1.4128393 3.8333101 ] [ 0.3601847 3.355383 1.7151129 ] [ 2.9418372 4.2500969 2.8334653 ] [ 3.4346867 1.4093877 3.4687853 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6608274e-10 1.8407382e-10 6.525373e-11 ] [ 5.757019e-11 1.4128393e-10 3.8333101e-10 ] [ 3.601847e-11 3.355383e-10 1.7151129e-10 ] [ 2.9418372e-10 4.2500969e-10 2.8334653e-10 ] [ 3.4346867e-10 1.4093877e-10 3.4687853e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.6e-06 7.3e-06 3.6e-06 ] [ 4.9e-06 7.6e-06 2.4e-06 ] [ -9.1e-06 -2.3e-06 -5.6e-06 ] [ -0.0 -8.5e-06 3e-07 ] [ 6e-07 -4.1e-06 -7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.767835882399999e-15 1.16958894282e-14 5.767835882399999e-15 ] [ 7.850665506599998e-15 1.21765424184e-14 3.845223921599999e-15 ] [ -1.45798073694e-14 -3.685006258199999e-15 -8.972189150399999e-15 ] [ 0.0 -1.3618501389e-14 4.806529901999999e-16 ] [ 9.613059803999998e-16 -6.568924199399999e-15 -1.1215236438e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.133456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.94399396928671e-18 } }