{ "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" [ [ 1.492003 2.387549 2.170669 ] [ 2.788135 3.420279 0.7006935 ] [ 2.516882 3.82705 3.771673 ] [ 3.610971 1.743132 2.445693 ] [ 4.42605 4.234183 2.406002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.492003e-10 2.387549e-10 2.170669e-10 ] [ 2.788135e-10 3.420279e-10 7.006935e-11 ] [ 2.516882e-10 3.82705e-10 3.771673e-10 ] [ 3.610971e-10 1.743132e-10 2.445693e-10 ] [ 4.42605e-10 4.234183e-10 2.406002e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.3582706 -3.4984804 0.3395267 ] [ -0.8813434 6.9075439 -21.9773525 ] [ -5.4205889 10.3102004 18.222079 ] [ 12.3752379 -21.4677177 3.0387105 ] [ 7.284965 7.7484538 0.3770363 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.140230884963999e-08 -5.605183505207033e-09 5.439817408773754e-10 ] [ -1.412067790376383e-09 1.106710534372965e-08 -3.521160036258043e-08 ] [ -8.68474080654799e-09 1.651876203664281e-08 2.919498895617064e-08 ] [ 1.982731684021809e-08 -3.439507540087435e-08 4.868550920479479e-09 ] [ 1.167180060634627e-08 1.241439152570892e-08 6.04078745052935e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 2.1237986 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.402700464207771e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5038687 2.2960412 2.2258438 ] [ 2.6657397 3.8167089 0.4754693 ] [ 2.3152468 4.1376446 3.861811 ] [ 3.9194363 1.4129642 2.5595578 ] [ 4.4297496 3.9488341 2.3720487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5038687e-10 2.2960412e-10 2.2258438e-10 ] [ 2.6657397e-10 3.8167089e-10 4.754693e-11 ] [ 2.3152468e-10 4.1376446e-10 3.861811e-10 ] [ 3.9194363e-10 1.4129642e-10 2.5595578e-10 ] [ 4.4297496e-10 3.9488341e-10 2.3720487e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.03e-05 1.73e-05 1.07e-05 ] [ 3e-06 6.5e-06 -2.13e-05 ] [ -2.18e-05 -3.7e-06 1.71e-05 ] [ 2.49e-05 -7.1e-06 4e-06 ] [ 4.1e-06 -1.31e-05 -1.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.650241919424e-14 2.771765553984e-14 1.714328984256e-14 ] [ 4.8065298624e-15 1.04141480352e-14 -3.412636202304e-14 ] [ -3.492745033344e-14 -5.928053496960001e-15 2.739722021568e-14 ] [ 3.989419785791999e-14 -1.137545400768e-14 6.4087064832e-15 ] [ 6.568924145279999e-15 -2.098851373248e-14 -1.68228545184e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5001568 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.522092911889414e-18 } }