{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.255333 1.27162 2.732919 ] [ 0.1563082 2.037757 0.9195406 ] [ 2.732822 1.199342 1.101381 ] [ 2.723495 2.772071 2.173764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.255333e-10 1.27162e-10 2.732919e-10 ] [ 1.563082e-11 2.037757e-10 9.195406000000001e-11 ] [ 2.732822e-10 1.199342e-10 1.101381e-10 ] [ 2.723495e-10 2.772071e-10 2.173764e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.622737 -9.3068425 27.0393785 ] [ -5.4663624 2.3032081 -5.8651176 ] [ 18.5176072 -44.6532721 -48.3599714 ] [ 8.5714923 51.6569065 27.1857105 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.464344369910713e-08 -1.491120546696782e-08 4.332186007366218e-08 ] [ -8.758078038100179e-09 3.690146170657189e-09 -9.396954296962606e-09 ] [ 2.966847732899775e-08 -7.154242860084093e-08 -7.748121555963666e-08 ] [ 1.373304456842722e-08 8.276348789715156e-08 4.355630978293708e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.9546832 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.114263082811053e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0373816 1.5898337 2.9605935 ] [ -0.0264189 1.4308152 0.603772 ] [ 2.5636465 1.4228244 0.6595682 ] [ 3.293349 2.8373166 2.7036709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0373816e-10 1.5898337e-10 2.9605935e-10 ] [ -2.64189e-12 1.4308152e-10 6.03772e-11 ] [ 2.5636465e-10 1.4228244e-10 6.595682000000001e-11 ] [ 3.293349e-10 2.8373166e-10 2.7036709e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.42e-05 -3e-07 4.21e-05 ] [ -2.33e-05 8.3e-06 -5.83e-05 ] [ -6.1e-06 -9e-07 3.19e-05 ] [ -2.48e-05 -7.1e-06 -1.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.683797284736e-14 -4.8065298624e-16 6.745163573568001e-14 ] [ -3.733071526464e-14 1.329806595264e-14 -9.340689699264e-14 ] [ -9.77327738688e-15 -1.44195895872e-15 5.110943420352001e-14 ] [ -3.973398019584e-14 -1.137545400768e-14 -2.515417294656e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.069862 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.933805071268233e-18 } }