{ "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" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1984686 0.1356626 -1.0478784 ] [ -1.9452481 -0.6969463 3.4786425 ] [ 3.449079 -1.8907846 -1.5414424 ] [ 0.5175246 2.535685 -0.2387698 ] [ -0.8228869 -0.0836167 -0.6505519 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.920158371682907e-09 2.173554460369421e-10 -1.678886273921311e-09 ] [ -3.116631027475621e-09 -1.116631067813063e-09 5.573399685621264e-09 ] [ 5.526033737092244e-09 -3.02937088108868e-09 -2.469662975589842e-09 ] [ 8.291658148088718e-10 4.062615224713249e-09 -3.825513913130919e-10 ] [ -1.318410152742588e-09 -1.339687218484474e-10 -1.04229904479702e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.7720448 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.405436509517021e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3726534 2.1251613 -0.2263437 ] [ 1.5529952 1.656857 3.0674458 ] [ 2.898711 0.892673 1.1999918 ] [ 1.8128724 3.6039621 1.6449295 ] [ 4.1417341 2.9629396 1.4262844 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3726534e-10 2.1251613e-10 -2.263437e-11 ] [ 1.5529952e-10 1.656857e-10 3.0674458e-10 ] [ 2.898711e-10 8.926730000000001e-11 1.1999918e-10 ] [ 1.8128724e-10 3.6039621e-10 1.6449295e-10 ] [ 4.1417341e-10 2.9629396e-10 1.4262844e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 -1.5e-06 5e-07 ] [ -3.5e-06 -3.5e-06 1.7e-06 ] [ 2.7e-06 2.4e-06 -0.0 ] [ 1e-06 4.5e-06 -2e-07 ] [ 1e-07 -1.8e-06 -2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 -2.4032649312e-15 8.010883104e-16 ] [ -5.6076181728e-15 -5.6076181728e-15 2.72370025536e-15 ] [ 4.32587687616e-15 3.84522388992e-15 0.0 ] [ 1.6021766208e-15 7.2097947936e-15 -3.2043532416e-16 ] [ 1.6021766208e-16 -2.88391791744e-15 -3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.415273 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.668710689984948e-18 } }