{ "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" [ [ 0.1515051 0.6129927 0.4125648 ] [ 0.5354239 0.8367141 2.920626 ] [ 0.0380374 2.448484 2.393252 ] [ 2.476891 0.0370714 1.494005 ] [ 2.980221 0.9767319 2.515602 ] [ 2.390623 2.921281 2.114549 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.515051e-11 6.129927e-11 4.125648000000001e-11 ] [ 5.354239e-11 8.367141000000001e-11 2.920626e-10 ] [ 3.80374e-12 2.448484e-10 2.393252e-10 ] [ 2.476891e-10 3.707139999999999e-12 1.494005e-10 ] [ 2.980221e-10 9.767319e-11 2.515602e-10 ] [ 2.390623e-10 2.921281e-10 2.114549e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3560166 -1.4043397 -4.113832 ] [ -6.5544191 -12.4312403 9.9773475 ] [ -5.6502813 11.8549874 -1.8914822 ] [ -6.1855002 -25.3385648 -24.4092688 ] [ 16.793006 14.4487682 22.0108258 ] [ 2.9532112 12.8703893 -1.5735904 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.172578093936705e-09 -2.250000235001286e-09 -6.591085452298906e-09 ] [ -1.050133704494498e-08 -1.991704257620678e-08 1.598547290209733e-08 ] [ -9.05274859980343e-09 1.899378365215858e-08 -3.03048855949935e-09 ] [ -9.910263808393723e-09 -4.059685612718583e-08 -3.910795980218287e-08 ] [ 2.690536160615412e-08 2.31494786093985e-08 3.526523050126145e-08 ] [ 4.731565940924713e-09 2.062063683705448e-08 -2.52116974959532e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 7.5670093 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.212368538983617e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3222748 0.8199343 0.2062939 ] [ 0.6261496 0.8090275 3.8299713 ] [ 0.0009549 2.3587154 2.0082232 ] [ 2.3880174 -0.2230785 0.8209562 ] [ 2.9034659 0.8931852 2.8718848 ] [ 2.3318388 3.1754913 2.1132694 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.222748e-11 8.199343000000001e-11 2.062939e-11 ] [ 6.261496e-11 8.090275e-11 3.8299713e-10 ] [ 9.549e-14 2.3587154e-10 2.0082232e-10 ] [ 2.3880174e-10 -2.230785e-11 8.209562000000001e-11 ] [ 2.9034659e-10 8.931852000000001e-11 2.8718848e-10 ] [ 2.3318388e-10 3.1754913e-10 2.1132694e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.3e-06 7e-07 -1.45e-05 ] [ 3.8e-06 -1.05e-05 7.7e-06 ] [ -5.3e-06 7.9e-06 -4e-07 ] [ -3.7e-06 -1.01e-05 -1.7e-06 ] [ 6.8e-06 4.4e-06 1.13e-05 ] [ 1.6e-06 7.5e-06 -2.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.28718284864e-15 1.12152363456e-15 -2.32315610016e-14 ] [ 6.08827115904e-15 -1.68228545184e-14 1.233675998016e-14 ] [ -8.491536090240001e-15 1.265719530432e-14 -6.408706483200001e-16 ] [ -5.928053496960001e-15 -1.618198387008e-14 -2.72370025536e-15 ] [ 1.089480102144e-14 7.04957713152e-15 1.810459581504e-14 ] [ 2.56348259328e-15 1.2016324656e-14 -3.84522388992e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.9625962 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.435966209331092e-18 } }