{ "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" [ [ 0.7266937 0.3281129 0.1138198 ] [ 0.6755994 0.7068783 2.528749 ] [ 1.24494 2.902842 0.1722514 ] [ 2.894919 0.4231749 1.051303 ] [ 2.63173 1.048668 2.819948 ] [ 2.452649 2.84958 1.823943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.266937e-11 3.281129e-11 1.138198e-11 ] [ 6.755994e-11 7.068783e-11 2.528749e-10 ] [ 1.24494e-10 2.902842e-10 1.722514e-11 ] [ 2.894919e-10 4.231749e-11 1.051303e-10 ] [ 2.63173e-10 1.048668e-10 2.819948e-10 ] [ 2.452649e-10 2.84958e-10 1.823943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1678269 1.0913032 0.7720389 ] [ -7.9452234 -1.8929555 -1.9060138 ] [ -3.2414668 -0.6235031 -4.2682022 ] [ 1.5776729 -4.2439357 -11.2908027 ] [ 6.7916445 0.0715813 15.6178321 ] [ 2.6495459 5.5975098 1.0751478 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.688883355213395e-10 1.748460473244227e-09 1.236942675928149e-09 ] [ -1.272965117851309e-08 -3.032849046314775e-09 -3.053770749282167e-09 ] [ -5.193402324059389e-09 -9.989620898163246e-10 -6.838413777687127e-09 ] [ 2.527710635649737e-09 -6.799534558718482e-09 -1.808986011600552e-08 ] [ 1.088141403468491e-08 1.14685885346471e-10 2.502252545819977e-08 ] [ 4.245040496716495e-09 8.968199336258883e-09 1.722576669064554e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.355003279081938 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.170954574852419e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.9754772 0.3472685 0.1563633 ] [ 0.4413535 1.2828834 2.2627782 ] [ 0.6382029 2.6683949 0.3828193 ] [ 3.2754058 0.5256567 0.8724997 ] [ 2.6401503 0.7846178 3.1268461 ] [ 2.6559414 2.6504348 1.7087076 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.754772e-11 3.472685e-11 1.563633e-11 ] [ 4.413535e-11 1.2828834e-10 2.2627782e-10 ] [ 6.382029e-11 2.6683949e-10 3.828193e-11 ] [ 3.2754058e-10 5.256567e-11 8.724997e-11 ] [ 2.6401503e-10 7.846178e-11 3.1268461e-10 ] [ 2.6559414e-10 2.6504348e-10 1.7087076e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.42e-05 -2.91e-05 1.85e-05 ] [ 3.94e-05 3.56e-05 1.21e-05 ] [ -2.06e-05 2.74e-05 -2.97e-05 ] [ -9e-06 2.13e-05 3.4e-06 ] [ -1.03e-05 -2.11e-05 -2.56e-05 ] [ -2.37e-05 -3.41e-05 2.14e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.877267422336e-14 -4.662333966527999e-14 2.96402674848e-14 ] [ 6.312575885952001e-14 5.703748770048e-14 1.938633711168e-14 ] [ -3.300483838848e-14 4.389963940992e-14 -4.758464563776e-14 ] [ -1.44195895872e-14 3.412636202304e-14 5.44740051072e-15 ] [ -1.650241919424e-14 -3.380592669888e-14 -4.101572149248001e-14 ] [ -3.797158591296e-14 -5.463422276928e-14 3.428657968511999e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.6065442790819375 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.058485078822507e-18 } }