{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8977415 1.1354092 2.221461 ] [ 3.0057524 -1.3295962 -0.1556487 ] [ 1.8123279 1.4613493 0.6617804 ] [ -0.3188295 -0.1464191 -0.2975526 ] [ -0.5782647 0.316718 -1.0622365 ] [ -0.6800454 1.0061225 -0.5699077 ] [ -2.3431992 -2.4435837 -0.7978959 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.438340442821923e-09 1.819126075281231e-09 3.559172878218989e-09 ] [ 4.81574622319349e-09 -2.130247946744521e-09 -2.49376708197913e-10 ] [ 2.90366939060356e-09 2.341339683282445e-09 1.060289084983673e-09 ] [ -5.108211709213536e-10 -2.345892588585773e-10 -4.767318191782541e-10 ] [ -9.264821829739257e-10 5.074381749865344e-10 -1.701890486060419e-09 ] [ -1.089552840962584e-09 1.611985947160848e-09 -9.130927929539002e-10 ] [ -3.754218976117264e-09 -3.915052675107961e-09 -1.278370156812175e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.279933 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.210509424879041e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0234108 1.7610859 1.1917038 ] [ 2.6286227 4.0643174 1.3992532 ] [ 4.8375496 3.129081 1.6986107 ] [ 3.6326029 1.2254864 3.3786565 ] [ 5.7774162 0.5166959 3.8978771 ] [ 5.1620852 2.8705462 4.087154 ] [ 3.9688966 4.7906912 3.1606373 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0234108e-10 1.7610859e-10 1.1917038e-10 ] [ 2.6286227e-10 4.0643174e-10 1.3992532e-10 ] [ 4.8375496e-10 3.129081e-10 1.6986107e-10 ] [ 3.6326029e-10 1.2254864e-10 3.3786565e-10 ] [ 5.777416200000001e-10 5.166959e-11 3.8978771e-10 ] [ 5.1620852e-10 2.8705462e-10 4.087154e-10 ] [ 3.9688966e-10 4.790691200000001e-10 3.1606373e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-06 -2.38e-05 -1.97e-05 ] [ 3.52e-05 -2.79e-05 1.94e-05 ] [ -6.84e-05 -3.81e-05 2.28e-05 ] [ -8.3e-06 7.26e-05 -4.87e-05 ] [ 3.49e-05 -5e-07 1.9e-06 ] [ -2.14e-05 -9e-07 3.5e-06 ] [ 2.5e-05 1.87e-05 2.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-15 -3.813180357504e-14 -3.156287942976e-14 ] [ 5.639661705216e-14 -4.470072772032e-14 3.108222644352e-14 ] [ -1.0958888086272e-13 -6.104292925248e-14 3.652962695424e-14 ] [ -1.329806595264e-14 1.1631802267008e-13 -7.802600143296e-14 ] [ 5.591596406592e-14 -8.010883104e-16 3.04413557952e-15 ] [ -3.428657968511999e-14 -1.44195895872e-15 5.6076181728e-15 ] [ 4.005441552e-14 2.996070280896e-14 3.332527371264e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.329589 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.699118179347285e-18 } }