{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6235069 -1.1045924 0.4920924 ] [ -1.0720276 -0.5912309 1.007496 ] [ -1.1602555 -1.2402935 -1.0867841 ] [ 0.3823724 0.389205 0.9068555 ] [ 0.0625206 -0.6190465 -0.8246498 ] [ 2.4948569 0.9703758 -0.3093128 ] [ 0.9160401 2.1955826 -0.1856972 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.601144820317774e-09 -1.769752133373981e-09 7.884189450489814e-10 ] [ -1.717577571723098e-09 -9.472563332787906e-10 1.614186550048464e-09 ] [ -1.858934251569987e-09 -1.987169265002079e-09 -1.741220091222719e-09 ] [ 6.126281247665016e-10 6.235751568359699e-10 1.452942692514387e-09 ] [ 1.001690444636604e-10 -9.91821837659481e-10 -1.321234640792773e-09 ] [ 3.997201430353674e-09 1.554713432959057e-09 -4.955737407571152e-10 ] [ 1.467658044027023e-09 3.517711139736968e-09 -2.975197148392248e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -21.514741 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.447041531676179e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4119714 2.4913162 0.538631 ] [ 2.0130369 4.7473692 1.3496845 ] [ 1.991205 2.8136354 2.8219014 ] [ 4.6934566 2.7018339 0.9214088 ] [ 4.2699947 3.0254025 3.2195909 ] [ 4.2942367 4.9578854 0.5381757 ] [ 3.8726938 5.2791815 2.8214466 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4119714e-10 2.4913162e-10 5.38631e-11 ] [ 2.0130369e-10 4.7473692e-10 1.3496845e-10 ] [ 1.991205e-10 2.8136354e-10 2.8219014e-10 ] [ 4.6934566e-10 2.7018339e-10 9.214088000000001e-11 ] [ 4.2699947e-10 3.025402500000001e-10 3.2195909e-10 ] [ 4.2942367e-10 4.9578854e-10 5.381757000000001e-11 ] [ 3.8726938e-10 5.2791815e-10 2.8214466e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.3e-05 3.77e-05 1.03e-05 ] [ 1.66e-05 -8.3e-06 -4.7e-06 ] [ 1.14e-05 -4.4e-05 -1.75e-05 ] [ -2.04e-05 1.31e-05 3.97e-05 ] [ -2.75e-05 2.68e-05 -2.94e-05 ] [ -3.52e-05 -2.81e-05 1.54e-05 ] [ 4.21e-05 2.7e-06 -1.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.082829624199999e-14 6.040205910179999e-14 1.65024193302e-14 ] [ 2.65961321244e-14 -1.32980660622e-14 -7.530230179799999e-15 ] [ 1.82648136276e-14 -7.049577189599999e-14 -2.8038091095e-14 ] [ -3.26844033336e-14 2.09885139054e-14 6.36064123698e-14 ] [ -4.4059857435e-14 4.293833379119999e-14 -4.710399303959999e-14 ] [ -5.63966175168e-14 -4.50211634154e-14 2.46735201636e-14 ] [ 6.745163629139998e-14 4.3258769118e-15 -2.21100375492e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }