{ "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" [ [ 0.4711414 1.535718 0.6051258 ] [ 0.1383881 2.176586 2.72717 ] [ 2.449817 0.7251628 0.0780297 ] [ 1.858809 0.1214998 2.575793 ] [ 2.444403 2.05802 2.37174 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.711414e-11 1.535718e-10 6.051258000000001e-11 ] [ 1.383881e-11 2.176586e-10 2.72717e-10 ] [ 2.449817e-10 7.251628e-11 7.80297e-12 ] [ 1.858809e-10 1.214998e-11 2.575793e-10 ] [ 2.444403e-10 2.05802e-10 2.37174e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2246279 -0.0412978 -0.9970891 ] [ -1.0224619 1.2055626 1.1451678 ] [ 1.1231717 -0.5350823 -0.6013756 ] [ -1.039628 -6.3799841 0.5324955 ] [ 2.163546 5.7508015 -0.0791985 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.962070206724488e-09 -6.61663701956052e-11 -1.597512858036089e-09 ] [ -1.638164565335244e-09 1.931524228544288e-09 1.834761091169185e-09 ] [ 1.799519453710058e-09 -8.572963583269781e-10 -9.635099345777304e-10 ] [ -1.665667689652152e-09 -1.022186145031152e-08 8.531518478101469e-10 ] [ 3.466382847784164e-09 9.21379979007215e-09 -1.26889986147849e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.842408 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.256492285189467e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2119495 1.950073 0.0250903 ] [ 0.4216392 2.5737761 2.2239272 ] [ 1.5331193 0.4556452 -1.110257 ] [ 3.3145668 -0.063908 3.4536596 ] [ 1.8812837 1.7014003 3.7654384 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.119495e-11 1.950073e-10 2.50903e-12 ] [ 4.216392e-11 2.5737761e-10 2.2239272e-10 ] [ 1.5331193e-10 4.556452e-11 -1.110257e-10 ] [ 3.3145668e-10 -6.390800000000001e-12 3.4536596e-10 ] [ 1.8812837e-10 1.7014003e-10 3.7654384e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-07 1e-07 1.5e-06 ] [ -1.2e-06 1.9e-06 7e-07 ] [ 2.3e-06 -3e-07 4.4e-06 ] [ -4.9e-06 5.4e-06 -4e-07 ] [ 4.4e-06 -7.2e-06 -6.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.613059803999998e-16 1.602176634e-16 2.403264951e-15 ] [ -1.9226119608e-15 3.0441356046e-15 1.1215236438e-15 ] [ 3.685006258199999e-15 -4.806529901999999e-16 7.0495771896e-15 ] [ -7.850665506599998e-15 8.6517538236e-15 -6.408706536e-16 ] [ 7.0495771896e-15 -1.15356717648e-14 -9.9334951308e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.663724 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.708516942422502e-18 } }