{ "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" [ [ 1.84187 2.347102 1.383115 ] [ 2.042679 1.03426 3.627522 ] [ 0.9834518 3.478775 3.226301 ] [ 4.103178 1.51668 2.106844 ] [ 3.482715 3.397853 2.716774 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84187e-10 2.347102e-10 1.383115e-10 ] [ 2.042679e-10 1.03426e-10 3.627522e-10 ] [ 9.834518e-11 3.478775e-10 3.226301e-10 ] [ 4.103178e-10 1.51668e-10 2.106844e-10 ] [ 3.482715e-10 3.397853e-10 2.716774e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.6900348 -0.1695816 -9.1977509 ] [ -1.219467 -3.2474651 4.9045367 ] [ -2.0229833 1.0213187 2.3092184 ] [ 5.1610505 -7.1951589 -2.0829506 ] [ 2.7714345 9.5908869 4.0669464 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.514264107298405e-09 -2.716996748378573e-10 -1.473642145592216e-08 ] [ -1.953801517237114e-09 -5.203012660083934e-09 7.857934036595584e-09 ] [ -3.241176547528833e-09 1.636332943525849e-09 3.699775732801182e-09 ] [ 8.26891444986815e-09 -1.152791537252105e-08 -3.337254753601333e-09 ] [ 4.440327561978537e-09 1.536629476391699e-08 6.515966440126725e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.2475337 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.998769327800121e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0836346 2.5871067 1.3368635 ] [ 1.9584892 0.5719205 4.1070311 ] [ 0.4496219 3.6409406 2.7405551 ] [ 4.7428092 1.6941313 2.0220975 ] [ 4.2193389 3.2805709 2.8540088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0836346e-10 2.5871067e-10 1.3368635e-10 ] [ 1.9584892e-10 5.719205000000001e-11 4.1070311e-10 ] [ 4.496219e-11 3.6409406e-10 2.7405551e-10 ] [ 4.7428092e-10 1.6941313e-10 2.0220975e-10 ] [ 4.219338900000001e-10 3.2805709e-10 2.8540088e-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" -21.568291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.455621159081105e-18 } }