{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.0025777e-10 2.0747277e-10 1.3737996e-10 ] [ 2.2326339e-10 1.2532785e-10 3.583587e-10 ] [ 1.4821245e-10 3.3708366e-10 2.705804500000001e-10 ] [ 3.7804693e-10 -5.08886e-12 2.2932695e-10 ] [ 5.233371700000001e-10 1.8585827e-10 2.2215932e-10 ] [ 4.495153e-10 1.0596705e-10 4.3611739e-10 ] [ 3.7402611e-10 3.2210676e-10 3.5086353e-10 ] ] "source-value" [ [ 3.0025777 2.0747277 1.3737996 ] [ 2.2326339 1.2532785 3.583587 ] [ 1.4821245 3.3708366 2.7058045 ] [ 3.7804693 -0.0508886 2.2932695 ] [ 5.2333717 1.8585827 2.2215932 ] [ 4.495153 1.0596705 4.3611739 ] [ 3.7402611 3.2210676 3.5086353 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.939994099168e-13 3.48120936167424e-12 5.563558315728e-12 ] [ -5.41071066610368e-12 1.98397530953664e-12 2.339177866368e-14 ] [ 9.060308790624e-13 -5.45653291745856e-12 3.26315312358336e-12 ] [ -2.62340399889792e-12 1.33397225447808e-12 2.0123338357248e-13 ] [ 1.351548132008256e-11 -1.6534462726656e-13 -5.91651782529024e-12 ] [ -2.5122129414144e-12 -6.948640004409601e-13 2.94752432928576e-12 ] [ -4.16902378498368e-12 -4.822551628608e-13 -6.08234310554304e-12 ] ] "source-value" [ [ 0.0001835 0.0021728 0.0034725 ] [ -0.0033771 0.0012383 1.46e-05 ] [ 0.0005655 -0.0034057 0.0020367 ] [ -0.0016374 0.0008326 0.0001256 ] [ 0.0084357 -0.0001032 -0.0036928 ] [ -0.001568 -0.0004337 0.0018397 ] [ -0.0026021 -0.000301 -0.0037963 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.757860062536972e-18 "source-value" -29.696227 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.701649658745592e-09 -2.639192167754607e-09 1.626415630460759e-09 ] [ 1.840296916713158e-09 1.500380246367865e-09 -4.457585888102471e-09 ] [ -3.665345277655515e-09 3.5069597045414e-09 1.041192741840357e-09 ] [ -4.456630189748164e-09 -3.765365479085831e-09 6.419376979494528e-10 ] [ 7.957093228309881e-10 2.673257166413071e-09 8.981816555794387e-10 ] [ 4.076858414654498e-09 2.509954192814396e-09 -9.472910927072141e-10 ] [ -1.292539005758219e-09 -3.785993823513955e-09 1.197149254979677e-09 ] ] "source-value" [ [ 1.6862371 -1.6472542 1.0151288 ] [ 1.148623 0.9364637 -2.7822063 ] [ -2.2877286 2.1888721 0.6498614 ] [ -2.7816098 -2.3501563 0.400666 ] [ 0.4966427 1.6685159 0.5606009 ] [ 2.5445749 1.5665902 -0.5912526 ] [ -0.8067394 -2.3630315 0.7472018 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.233459483448367e-18 "source-value" -26.423176 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] "source-value" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] } "instance-id" 1 }