{ "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" [ [ 2.690681 1.842727 3.696963 ] [ 2.658202 3.646198 2.018485 ] [ 5.329976 0.2810446 1.792372 ] [ 5.111587 2.700534 2.069297 ] [ 3.393505 1.493232 0.8693091 ] [ 5.014849 1.504764 3.993476 ] [ 3.843884 3.656776 4.040771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.690681e-10 1.842727e-10 3.696963e-10 ] [ 2.658202e-10 3.646198e-10 2.018485e-10 ] [ 5.329976000000001e-10 2.810446e-11 1.792372e-10 ] [ 5.111587e-10 2.700534e-10 2.069297e-10 ] [ 3.393505e-10 1.493232e-10 8.693091e-11 ] [ 5.014849e-10 1.504764e-10 3.993476e-10 ] [ 3.843884e-10 3.656776e-10 4.040771000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.3928031 -7.5383934 2.00957 ] [ -2.836151 2.6955506 -4.6137088 ] [ 1.0823243 -3.5763659 -0.3867033 ] [ 6.0370978 6.3981028 -5.2098932 ] [ -3.235485 -0.8101581 -2.4990811 ] [ 3.901441 -5.1578688 5.9089938 ] [ 2.443576 7.9891328 4.7908226 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.184457638658277e-08 -1.207783776337981e-08 3.21968609838738e-09 ] [ -4.544014862695734e-09 4.318748187084679e-09 -7.391976435440179e-09 ] [ 1.734074703870406e-09 -5.72996987961438e-09 -6.195669915506921e-10 ] [ 9.672497032332803e-09 1.025089080808998e-08 -8.347169150675488e-09 ] [ -5.18381846665749e-09 -1.298016377665835e-09 -4.003969344891017e-09 ] [ 6.250797609129593e-09 -8.263816872597619e-09 9.467251796810869e-09 ] [ 3.915040370603184e-09 1.280000189808299e-08 7.675744027359128e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.035156 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.60780924617449e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1106301 1.0596215 3.659693 ] [ 2.8184948 3.5383762 2.0209822 ] [ 5.2633219 0.9175481 1.9328164 ] [ 5.8353753 3.3386688 1.5859935 ] [ 2.9624977 1.2273375 1.2417604 ] [ 4.529767 1.3381187 4.275779 ] [ 4.5225973 3.7056049 3.7636486 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1106301e-10 1.0596215e-10 3.659693e-10 ] [ 2.8184948e-10 3.5383762e-10 2.0209822e-10 ] [ 5.2633219e-10 9.175481e-11 1.9328164e-10 ] [ 5.8353753e-10 3.3386688e-10 1.5859935e-10 ] [ 2.9624977e-10 1.2273375e-10 1.2417604e-10 ] [ 4.529767e-10 1.3381187e-10 4.275779e-10 ] [ 4.5225973e-10 3.7056049e-10 3.7636486e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.6e-06 -1.2e-06 2.3e-06 ] [ -4.5e-06 -4.8e-06 1.8e-06 ] [ 3.4e-06 2.9e-06 -2.2e-06 ] [ 2.8e-06 -7.7e-06 3e-07 ] [ 1.6e-06 1.08e-05 -2.1e-06 ] [ 2.9e-06 1e-06 4.9e-06 ] [ -3.6e-06 -9e-07 -5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.165659248399999e-15 -1.9226119608e-15 3.685006258199999e-15 ] [ -7.209794853e-15 -7.690447843199998e-15 2.8839179412e-15 ] [ 5.4474005556e-15 4.6463122386e-15 -3.5247885948e-15 ] [ 4.486094575199999e-15 -1.23367600818e-14 4.806529901999999e-16 ] [ 2.5634826144e-15 1.73035076472e-14 -3.364570931399999e-15 ] [ 4.6463122386e-15 1.602176634e-15 7.850665506599998e-15 ] [ -5.767835882399999e-15 -1.4419589706e-15 -8.010883169999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998378080803613e-18 } }