{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1681714 -1.2488516 -1.8309826 ] [ -1.4205117 -1.1315779 2.6816242 ] [ 2.6174058 1.0923079 0.364709 ] [ 0.728083 0.7660194 0.5247452 ] [ 1.9728263 -0.3431933 -2.8405975 ] [ 1.3007183 2.065139 0.295338 ] [ -3.0303504 -1.1998436 0.8051637 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.473793526967205e-09 -2.000880836368673e-09 -2.933557514811598e-09 ] [ -2.275910635312864e-09 -1.81298765599396e-09 4.296435599011503e-09 ] [ 4.193546379906321e-09 1.750070180095144e-09 5.843282331953472e-10 ] [ 1.166517560601927e-09 1.227298373759244e-09 8.407344913170202e-10 ] [ 3.160816174759367e-09 -5.498562816752007e-10 -4.551138903602928e-09 ] [ 2.083980450506721e-09 3.308717424502291e-09 4.731836388338304e-10 ] [ -4.855156563711928e-09 -1.922361364536507e-09 1.290014456056825e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.741918 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.88126265029507e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4755571 2.2245222 2.1964466 ] [ 2.3656902 1.5694398 4.4234843 ] [ 2.4702366 4.2705061 2.3869383 ] [ 2.1870516 4.0396893 4.640438 ] [ 3.6375345 1.2152599 2.3167242 ] [ 4.3490135 3.0303628 4.7605782 ] [ 4.5499847 3.299656 2.5025115 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4755571e-10 2.2245222e-10 2.1964466e-10 ] [ 2.3656902e-10 1.5694398e-10 4.4234843e-10 ] [ 2.4702366e-10 4.270506100000001e-10 2.3869383e-10 ] [ 2.1870516e-10 4.0396893e-10 4.640438e-10 ] [ 3.6375345e-10 1.2152599e-10 2.3167242e-10 ] [ 4.3490135e-10 3.0303628e-10 4.7605782e-10 ] [ 4.5499847e-10 3.299656e-10 2.5025115e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.98e-05 -8.4e-06 1.31e-05 ] [ 2.01e-05 -4.11e-05 2.07e-05 ] [ 2.76e-05 3.74e-05 -3.78e-05 ] [ -7.7e-06 7e-07 6.4e-06 ] [ -3.2e-06 -1.01e-05 -4.84e-05 ] [ -8.5e-06 3.68e-05 4.92e-05 ] [ 1.15e-05 -1.53e-05 -3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.376662950784e-14 -1.345828361472e-14 2.098851373248e-14 ] [ 3.220375007808e-14 -6.584945911488e-14 3.316505605055999e-14 ] [ 4.422007473408001e-14 5.992140561792e-14 -6.056227626623999e-14 ] [ -1.233675998016e-14 1.12152363456e-15 1.025393037312e-14 ] [ -5.126965186560001e-15 -1.618198387008e-14 -7.754534844671999e-14 ] [ -1.36185012768e-14 5.896009964544001e-14 7.882708974336e-14 ] [ 1.84250311392e-14 -2.451330229824e-14 -4.96674752448e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }