{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.248369 0.1750326 1.959235 ] [ 0.2041437 1.690187 0.8451771 ] [ 0.5672117 2.337944 2.235934 ] [ 2.305261 0.0188332 0.1900716 ] [ 2.629759 0.4646214 2.471997 ] [ 1.518408 2.931316 1.102854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.248369e-10 1.750326e-11 1.959235e-10 ] [ 2.041437e-11 1.690187e-10 8.451771e-11 ] [ 5.672117e-11 2.337944e-10 2.235934e-10 ] [ 2.305261e-10 1.88332e-12 1.900716e-11 ] [ 2.629759e-10 4.646214e-11 2.471997e-10 ] [ 1.518408e-10 2.931316e-10 1.102854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2305.4083921 -479.907007 -838.5560558 ] [ -402.0082761 -626.9295673 -1152.4487215 ] [ -358.0377591 112.6325162 1909.4998345 ] [ 5.5394557 2.7117345 -8.4136114 ] [ 2295.4404398 484.928366 848.6870235 ] [ 764.4745318 506.5639575 -758.7684692 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.69367142721874e-06 -7.68895786773502e-07 -1.34351490783302e-06 ] [ -6.440882613355314e-07 -1.00445189561632e-06 -1.84642639825815e-06 ] [ -5.736397269936425e-07 1.804571841975172e-07 3.059355992257369e-06 ] [ 8.8751864144973e-09 4.344677617716778e-09 -1.348009148157636e-08 ] [ 3.67770100708643e-06 7.769408907679456e-07 1.35974650742804e-06 ] [ 1.224823222046986e-06 8.116049296464249e-07 -1.215681101952445e-06 ] ] } "unrelaxed-potential-energy" { "source-value" 540.43385 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.658704795589341e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.7712047 -0.0585997 1.9843734 ] [ 0.1737622 1.5082194 0.5447158 ] [ 0.7067401 2.0577316 2.6179847 ] [ 2.1176442 0.4815798 0.3171048 ] [ 2.6506217 1.031092 2.3903736 ] [ 2.0531795 2.5979112 0.9507164 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.712047e-11 -5.85997e-12 1.9843734e-10 ] [ 1.737622e-11 1.5082194e-10 5.447158e-11 ] [ 7.067401e-11 2.0577316e-10 2.6179847e-10 ] [ 2.1176442e-10 4.815798e-11 3.171048000000001e-11 ] [ 2.6506217e-10 1.031092e-10 2.3903736e-10 ] [ 2.0531795e-10 2.5979112e-10 9.507164e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.2e-06 2.76e-05 -1.74e-05 ] [ -1.78e-05 8.5e-06 -1.28e-05 ] [ -3.3e-06 -9.8e-06 -1.71e-05 ] [ -1.45e-05 1.99e-05 2.21e-05 ] [ 4.66e-05 -1.03e-05 2.64e-05 ] [ -1.93e-05 -3.59e-05 -1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.313784829056e-14 4.422007473408001e-14 -2.787787320192e-14 ] [ -2.851874385024e-14 1.36185012768e-14 -2.050786074624e-14 ] [ -5.28718284864e-15 -1.570133088384e-14 -2.739722021568e-14 ] [ -2.32315610016e-14 3.188331475392e-14 3.540810331968e-14 ] [ 7.466143052928e-14 -1.650241919424e-14 4.229746278912e-14 ] [ -3.092200878144e-14 -5.751814068672e-14 -1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -40.305538 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.457659067236599e-18 } }