{ "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" [ [ -4.6159745 -2.6326211 -1.6353713 ] [ -1.4751507 -2.4859744 3.4677325 ] [ 8.1550457 3.3510788 -0.2778182 ] [ 0.3085545 1.1914444 0.6609542 ] [ 3.4858714 -0.4585449 -4.575321 ] [ 2.3855374 2.9064402 2.6857856 ] [ -8.2438838 -1.8718229 -0.3259617 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.39560642610897e-09 -4.217923977844779e-09 -2.620153663187303e-09 ] [ -2.363451963696754e-09 -3.982970063587307e-09 5.555919938688336e-09 ] [ 1.306582356209557e-08 5.369020107818519e-09 -4.451138248727386e-10 ] [ 4.943588061426336e-10 1.908904362663083e-09 1.058965366659568e-09 ] [ 5.584981660195366e-09 -7.346699183670739e-10 -7.330472338855277e-09 ] [ 3.822052250324018e-09 4.656630538193277e-09 4.3031028968013e-09 ] [ -1.320815788895187e-08 -2.998990888658056e-09 -5.222482150162234e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.487964 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.161010058299205e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.408037 2.3321491 2.4144617 ] [ 2.1982028 1.2707712 4.694888 ] [ 2.5714273 4.5696813 2.124791 ] [ 2.001751 3.8930432 4.5041997 ] [ 3.7537545 1.2364494 2.5664298 ] [ 4.3474623 2.7973542 4.656153 ] [ 4.7544332 3.5499875 2.2661979 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.408037e-10 2.3321491e-10 2.4144617e-10 ] [ 2.1982028e-10 1.2707712e-10 4.694888e-10 ] [ 2.5714273e-10 4.5696813e-10 2.124791e-10 ] [ 2.001751e-10 3.893043200000001e-10 4.5041997e-10 ] [ 3.7537545e-10 1.2364494e-10 2.5664298e-10 ] [ 4.3474623e-10 2.7973542e-10 4.656153e-10 ] [ 4.754433200000001e-10 3.5499875e-10 2.2661979e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.03e-05 -2.81e-05 4.8e-06 ] [ 2.77e-05 3.01e-05 -2.8e-06 ] [ 1.72e-05 2.54e-05 -2.29e-05 ] [ -9.1e-06 -1.7e-05 -3.7e-06 ] [ -3.85e-05 -5.7e-06 -2.6e-06 ] [ 5.6e-06 -2.3e-05 1.52e-05 ] [ -1.32e-05 1.83e-05 1.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.650241919424e-14 -4.502116304448e-14 7.69044777984e-15 ] [ 4.438029239616e-14 4.822551628608e-14 -4.48609453824e-15 ] [ 2.755743787776e-14 4.069528616832e-14 -3.668984461632e-14 ] [ -1.457980724928e-14 -2.72370025536e-14 -5.928053496960001e-15 ] [ -6.16837999008e-14 -9.13240673856e-15 -4.16565921408e-15 ] [ 8.972189076479999e-15 -3.68500622784e-14 2.435308463616e-14 ] [ -2.114873139456e-14 2.931983216064e-14 1.92261194496e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.011061 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.725472422920267e-18 } }