{ "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" [ [ 0.099853 0.7165901 0.5986145 ] [ 0.2043706 1.471965 2.579922 ] [ 1.736021 0.3195483 2.600696 ] [ 1.725047 2.389347 1.166635 ] [ 1.83697 2.73027 2.853175 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.9853e-12 7.165901e-11 5.986145000000001e-11 ] [ 2.043706e-11 1.471965e-10 2.579922e-10 ] [ 1.736021e-10 3.195483e-11 2.600696e-10 ] [ 1.725047e-10 2.389347e-10 1.166635e-10 ] [ 1.83697e-10 2.73027e-10 2.853175e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.4601638 -7.5043488 -13.9650306 ] [ -19.1676902 1.1519853 10.6281465 ] [ 11.031119 -17.0816483 6.1859715 ] [ 7.7920568 8.7038769 -18.7800476 ] [ 8.8046783 14.7301348 15.9309601 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.355467664849849e-08 -1.202329220168853e-08 -2.23744455360766e-08 ] [ -3.071002511317727e-08 1.845683915165274e-09 1.702816784473735e-08 ] [ 1.767380096306268e-08 -2.736781755098807e-08 9.911018914235108e-09 ] [ 1.248425123290566e-08 1.394514807950118e-08 -3.008895320223115e-08 ] [ 1.410664972592509e-08 2.360027759779248e-08 2.552421181911763e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 64.114858 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.027233265335118e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.986747 -0.5481778 -1.0924959 ] [ -1.9052962 1.686477 3.8536142 ] [ 2.8187011 -1.1906366 3.0765162 ] [ 2.7716238 3.4519573 -0.7409721 ] [ 2.9039799 4.2281005 4.7023801 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.86747e-11 -5.481778000000001e-11 -1.0924959e-10 ] [ -1.9052962e-10 1.686477e-10 3.8536142e-10 ] [ 2.8187011e-10 -1.1906366e-10 3.0765162e-10 ] [ 2.7716238e-10 3.4519573e-10 -7.409721e-11 ] [ 2.9039799e-10 4.2281005e-10 4.7023801e-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" -1.7763568e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.846037335159101e-34 } }