{ "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" [ [ 1.60665 2.271209 0.858315 ] [ 1.14021 1.706761 3.269891 ] [ 0.6855745 3.746661 2.498398 ] [ 2.590166 5.193842 1.980174 ] [ 3.090456 3.322533 2.927067 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.60665e-10 2.271209e-10 8.58315e-11 ] [ 1.14021e-10 1.706761e-10 3.269891e-10 ] [ 6.855745e-11 3.746661e-10 2.498398e-10 ] [ 2.590166e-10 5.193842e-10 1.980174e-10 ] [ 3.090456e-10 3.322533e-10 2.927067e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 64.8572001 -3.6948634 -20.7778779 ] [ 11.5313179 -49.8736614 49.4484317 ] [ -115.0487607 114.2347489 -1.3104983 ] [ -35.7778989 61.1488367 -30.8423164 ] [ 74.4381416 -121.8150608 3.4822609 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.039126905468825e-07 -5.919823805301795e-09 -3.328983047548498e-08 ] [ 1.847520809860595e-08 -7.990641494710773e-08 7.922512185768489e-08 ] [ -1.843284361641974e-07 1.830242454784372e-07 -2.099649755156722e-09 ] [ -5.732251363119429e-08 9.797123735702166e-08 -4.941483867451499e-08 ] [ 1.192630511499034e-07 -1.951692440830493e-07 5.57919704747181e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 48.736664 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.808474427990896e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7387093 2.1228815 0.5858281 ] [ 1.1983659 1.9764386 3.7993951 ] [ -0.0431495 3.9844196 2.0266033 ] [ 2.4454232 5.356418 2.5075686 ] [ 3.7737076 2.8008482 2.6144499 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7387093e-10 2.1228815e-10 5.858281e-11 ] [ 1.1983659e-10 1.9764386e-10 3.7993951e-10 ] [ -4.31495e-12 3.9844196e-10 2.0266033e-10 ] [ 2.4454232e-10 5.356418e-10 2.5075686e-10 ] [ 3.7737076e-10 2.8008482e-10 2.6144499e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.74e-05 3.5e-06 4.47e-05 ] [ -8e-06 -1.76e-05 -2.58e-05 ] [ -2e-06 2.39e-05 -1.17e-05 ] [ -8.9e-06 -3.49e-05 -6e-06 ] [ 3.63e-05 2.51e-05 -1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.78778734316e-14 5.607618218999999e-15 7.16172955398e-14 ] [ -1.2817413072e-14 -2.81983087584e-14 -4.133615715719999e-14 ] [ -3.204353268e-15 3.82920215526e-14 -1.87454666178e-14 ] [ -1.42593720426e-14 -5.59159645266e-14 -9.613059803999999e-15 ] [ 5.81590118142e-14 4.02146335134e-14 -2.0828296242e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.133456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.94399396928671e-18 } }