{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3336316 -0.2895662 -2.9955278 ] [ -2.758087 -1.163632 2.4445092 ] [ -1.6671196 3.3713277 -0.8317866 ] [ 0.5204798 -3.1791671 -1.5283162 ] [ 2.8363409 1.1263653 -2.2735221 ] [ 2.3431564 -1.8744024 2.2265488 ] [ 1.0588612 2.0090747 2.9580946 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.738889991080097e-09 -4.63936195813897e-10 -4.799364608116458e-09 ] [ -4.41894250953241e-09 -1.864343985614745e-09 3.916535489570512e-09 ] [ -2.671020047197448e-09 5.401462421995436e-09 -1.332669044014721e-09 ] [ 8.3390056715866e-10 -5.093587201236536e-09 -2.448632484829897e-09 ] [ 4.544319078598832e-09 1.804636150140378e-09 -3.64258395549212e-09 ] [ 3.754150402957893e-09 -3.00312370325141e-09 3.567324432430295e-09 ] [ 1.696482659312233e-09 3.218892513780774e-09 4.739390010234727e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 17.050958 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.731864626984273e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2049636 1.7238901 -0.6209614 ] [ 0.4655457 1.0932594 5.0065835 ] [ 1.3254565 6.3447854 2.1434231 ] [ 3.8396517 -2.1278391 0.8633646 ] [ 5.9699235 3.3528569 0.8328375 ] [ 6.0890529 -0.0935351 5.4515888 ] [ 4.4914912 5.0723987 6.4570358 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.049636e-11 1.7238901e-10 -6.209614e-11 ] [ 4.655457e-11 1.0932594e-10 5.0065835e-10 ] [ 1.3254565e-10 6.344785400000001e-10 2.1434231e-10 ] [ 3.8396517e-10 -2.1278391e-10 8.633646000000001e-11 ] [ 5.9699235e-10 3.3528569e-10 8.328375e-11 ] [ 6.0890529e-10 -9.35351e-12 5.4515888e-10 ] [ 4.4914912e-10 5.0723987e-10 6.4570358e-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 ] [ 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 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 1.110223e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.778773334474438e-34 } }