{ "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" [ [ 2.301375 1.527111 2.019819 ] [ 1.794175 5.106546 1.47688 ] [ 0.9503771 3.237781 1.232452 ] [ 3.392468 3.669062 0.7528338 ] [ 3.101246 3.595776 2.776891 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.301375e-10 1.527111e-10 2.019819e-10 ] [ 1.794175e-10 5.106546e-10 1.47688e-10 ] [ 9.503771e-11 3.237781e-10 1.232452e-10 ] [ 3.392468e-10 3.669062e-10 7.528338e-11 ] [ 3.101246e-10 3.595776e-10 2.776891e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7960842 -4.8479412 1.8717517 ] [ -0.4096529 10.7772387 1.2859488 ] [ -12.251936 -7.3785627 -6.2384142 ] [ 6.5735705 0.8048501 -11.9760644 ] [ 6.8841026 0.6444151 15.0567781 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.275467503936583e-09 -7.76725811364592e-09 2.998876838389777e-09 ] [ -6.563363044303385e-10 1.726704002418053e-08 2.060317119880339e-09 ] [ -1.962976558046342e-08 -1.182176075044395e-08 -9.995041464453802e-09 ] [ 1.05320210570517e-08 1.289512024092563e-09 -1.918777054895923e-08 ] [ 1.102954833177865e-08 1.032466815816773e-09 2.412361805514291e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.4206084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.684772120544124e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7799673 1.5631846 2.5106595 ] [ 1.8259509 4.7362332 1.2754841 ] [ 0.2755124 2.9314375 1.3132776 ] [ 4.2294185 4.6269225 0.6083259 ] [ 3.4287921 3.2784982 2.5511287 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7799673e-10 1.5631846e-10 2.5106595e-10 ] [ 1.8259509e-10 4.736233200000001e-10 1.2754841e-10 ] [ 2.755124e-11 2.9314375e-10 1.3132776e-10 ] [ 4.229418500000001e-10 4.6269225e-10 6.083259e-11 ] [ 3.4287921e-10 3.2784982e-10 2.5511287e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.73e-05 -2.66e-05 -1.1e-06 ] [ 1.28e-05 -4.49e-05 1.79e-05 ] [ -2.12e-05 3.3e-05 -6.8e-06 ] [ 3.8e-06 -1.3e-05 9.2e-06 ] [ -1.28e-05 5.15e-05 -1.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.77176557682e-14 -4.26178984644e-14 -1.7623942974e-15 ] [ 2.05078609152e-14 -7.193773086659999e-14 2.86789617486e-14 ] [ -3.39661446408e-14 5.287182892199999e-14 -1.08948011112e-14 ] [ 6.088271209199999e-15 -2.082829624199999e-14 1.47400250328e-14 ] [ -2.05078609152e-14 8.251209665099998e-14 -3.09220090362e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.146626 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.785886372513688e-18 } }