{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.0311829 -17.7248079 0.1239323 ] [ -2.2730646 16.2194918 -2.9276448 ] [ 9.6159586 -6.1922145 0.2835059 ] [ -11.6658413 -12.2749344 -5.2221917 ] [ 0.4528481 -4.5477539 -2.5178535 ] [ 1.6386928 19.407306 3.2565408 ] [ 7.2625892 5.1129128 7.003711 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.060843683760358e-09 -2.83982730595186e-08 1.985614352578782e-10 ] [ -3.641850989692556e-09 2.59864907773146e-08 -4.690604091211602e-09 ] [ 1.540646418243135e-08 -9.921021384615993e-09 4.542265285811405e-10 ] [ -1.869073834681218e-08 -1.966661307956281e-08 -8.366873520008737e-09 ] [ 7.255426445712953e-10 -7.286305035762372e-09 -4.034046045535119e-09 ] [ 2.625475314464035e-09 3.1093932202088e-08 5.217553577427666e-09 ] [ 1.163595071858075e-08 8.191789419839514e-09 1.122118211548877e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -12.360958 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.980443808145537e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6380366 2.0046086 2.9821529 ] [ 2.728814 4.5374055 2.993464 ] [ 5.6352631 2.424643 1.3916355 ] [ 3.2755824 3.1432941 0.8095185 ] [ 4.9931786 1.8121041 3.6946676 ] [ 5.0501973 4.8627211 1.7616033 ] [ 4.929301 4.2246337 4.2114303 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6380366e-10 2.0046086e-10 2.9821529e-10 ] [ 2.728814e-10 4.5374055e-10 2.993464e-10 ] [ 5.6352631e-10 2.424643e-10 1.3916355e-10 ] [ 3.2755824e-10 3.1432941e-10 8.095185000000001e-11 ] [ 4.993178600000001e-10 1.8121041e-10 3.6946676e-10 ] [ 5.0501973e-10 4.8627211e-10 1.7616033e-10 ] [ 4.929301e-10 4.2246337e-10 4.2114303e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.1e-06 -1.03e-05 2.56e-05 ] [ -4.51e-05 1.93e-05 9.2e-06 ] [ 1.84e-05 -4.05e-05 2.49e-05 ] [ -8.8e-06 1.57e-05 -5.1e-05 ] [ 9.4e-06 -2.85e-05 2.6e-06 ] [ 8e-07 5.12e-05 -1.65e-05 ] [ 2.12e-05 -6.8e-06 5.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.568924199399999e-15 -1.65024193302e-14 4.10157218304e-14 ] [ -7.225816619339999e-14 3.09220090362e-14 1.47400250328e-14 ] [ 2.94800500656e-14 -6.4888153677e-14 3.989419818659999e-14 ] [ -1.40991543792e-14 2.515417315379999e-14 -8.171100833399999e-14 ] [ 1.50604603596e-14 -4.5662034069e-14 4.165659248399999e-15 ] [ 1.2817413072e-15 8.20314436608e-14 -2.6435914461e-14 ] [ 3.39661446408e-14 -1.08948011112e-14 8.1711008334e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }