{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 7.600699e-11 2.5065249e-10 2.0932956e-10 ] [ 2.1446042e-10 6.215541000000001e-11 1.6849986e-10 ] [ 2.8570545e-10 2.7850343e-10 1.0152748e-10 ] ] "source-value" [ [ 0.7600699 2.5065249 2.0932956 ] [ 2.1446042 0.6215541 1.6849986 ] [ 2.8570545 2.7850343 1.0152748 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 8.026904870208e-14 1.9498489475136e-13 -6.825272404608e-14 ] [ 6.216445288704e-14 -3.5376059787264e-13 2.114873139456e-14 ] [ -1.4243350158912e-13 1.5877570312128e-13 4.710399265152e-14 ] ] "source-value" [ [ 5.01e-05 0.0001217 -4.26e-05 ] [ 3.88e-05 -0.0002208 1.32e-05 ] [ -8.89e-05 9.91e-05 2.94e-05 ] ] } "species" { "source-value" [ "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.031763563926326e-18 "source-value" -6.4397617 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.584721547387033e-09 6.386928096393466e-10 6.9011755220184e-10 ] [ -2.41698436960391e-09 -1.035234583444692e-08 2.713954375193336e-09 ] [ 4.001705916990942e-09 9.713653024807577e-09 -3.404071927395176e-09 ] ] "source-value" [ [ -0.9891054 0.3986407 0.4307375 ] [ -1.508563 -6.4614261 1.6939171 ] [ 2.4976684 6.0627854 -2.1246546 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -8.90573880113232e-19 "source-value" -5.558525 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 7.252086e-11 2.552897e-10 2.103736e-10 ] [ 2.233995e-10 7.543773000000001e-11 1.621303e-10 ] [ 2.802525e-10 2.605839e-10 1.06853e-10 ] ] "source-value" [ [ 0.7252086 2.552897 2.103736 ] [ 2.233995 0.7543773 1.621303 ] [ 2.802525 2.605839 1.06853 ] ] } "instance-id" 1 }