{ "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" [ [ 0.223645 0.1945873 1.126976 ] [ 0.7288277 2.388611 0.0814776 ] [ 2.404153 0.5300895 0.5572584 ] [ 2.145602 0.6403931 2.690423 ] [ 2.26761 2.998114 1.480003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.23645e-11 1.945873e-11 1.126976e-10 ] [ 7.288277e-11 2.388611e-10 8.14776e-12 ] [ 2.404153e-10 5.300895e-11 5.572584000000001e-11 ] [ 2.145602e-10 6.403931000000001e-11 2.690423e-10 ] [ 2.26761e-10 2.998114e-10 1.480003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.305278 -9.0582261 0.3942197 ] [ -8.792652 8.1231357 -10.259516 ] [ 11.105472 -7.8843693 -9.9437431 ] [ 4.148833 -4.3610136 15.2076584 ] [ 6.8436251 13.1804733 4.601381 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.131740534484458e-08 -1.451287808334037e-08 6.316095867987898e-10 ] [ -1.408738146923036e-08 1.301469810612584e-08 -1.643755667592353e-08 ] [ 1.779292760134902e-08 -1.263215216221326e-08 -1.593163271806132e-08 ] [ 6.647163236203526e-09 -6.987114032910843e-09 2.436535474559274e-08 ] [ 1.096469613674006e-08 2.111744617233862e-08 7.372225061593325e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 79.420774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.272461073086405e-17 } "relaxed-configuration-positions" { "source-value" [ [ -4.0092568 -3.1354968 1.4171175 ] [ -2.1306935 5.1740764 -3.8194836 ] [ 5.5186546 -1.6247952 -2.2831055 ] [ 3.5410842 -1.1864471 7.677593 ] [ 4.8500493 7.5244576 2.9440165 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.0092568e-10 -3.1354968e-10 1.4171175e-10 ] [ -2.1306935e-10 5.1740764e-10 -3.8194836e-10 ] [ 5.5186546e-10 -1.6247952e-10 -2.2831055e-10 ] [ 3.5410842e-10 -1.1864471e-10 7.677593e-10 ] [ 4.8500493e-10 7.524457600000001e-10 2.9440165e-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" 8.8817842e-16 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.423018699623083e-34 } }