{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39854e-10 0.0 0.0 ] "source-value" [ 5.39854 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] "source-value" [ 0.0197648 5.43736 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] "source-value" [ -0.0299081 -0.213673 5.1785 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 3.058537224729047e-09 9.382528779321911e-09 -1.071090639325782e-09 ] [ -1.101124481497481e-08 1.151122085234997e-08 -2.080615190667094e-08 ] [ -4.468419966629983e-09 2.750909380040398e-09 5.499993079821395e-09 ] [ -6.75385538173584e-10 3.83990210005635e-09 -8.687771804279219e-09 ] [ 1.891429229998824e-08 -1.867254002989338e-08 1.788632616702323e-08 ] [ 3.402255699977837e-09 -5.606553366217817e-09 -4.855209595758077e-09 ] [ -1.343883959924997e-09 -2.202126076048147e-09 6.497608059534951e-09 ] [ -7.876150784774079e-09 -1.003341639609281e-09 5.536296479436777e-09 ] ] "source-value" [ [ 1.9089888 5.8561139 -0.6685222 ] [ -6.8726785 7.184739 -12.9861787 ] [ -2.7889684 1.7169826 3.4328257 ] [ -0.4215425 2.3966784 -5.4224807 ] [ 11.8053728 -11.6544829 11.1637668 ] [ 2.123521 -3.4993354 -3.0303835 ] [ -0.8387864 -1.374459 4.055488 ] [ -4.9159067 -0.6262366 3.4554845 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.57946e-11 -2.85755e-11 3.780800000000001e-11 ] [ 1.35651e-10 1.53389e-10 1.4884e-10 ] [ 2.92057e-13 2.68505e-10 2.57873e-10 ] [ 1.38402e-10 4.097260000000001e-10 4.02157e-10 ] [ 2.45639e-10 4.43756e-11 2.59681e-10 ] [ 4.091370000000001e-10 1.38211e-10 4.21726e-10 ] [ 2.67291e-10 2.94824e-10 -1.6912e-11 ] [ 4.08439e-10 3.99712e-10 1.2513e-10 ] ] "source-value" [ [ 0.157946 -0.285755 0.37808 ] [ 1.35651 1.53389 1.4884 ] [ 0.00292057 2.68505 2.57873 ] [ 1.38402 4.09726 4.02157 ] [ 2.45639 0.443756 2.59681 ] [ 4.09137 1.38211 4.21726 ] [ 2.67291 2.94824 -0.16912 ] [ 4.08439 3.99712 1.2513 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.960902463731998e-18 "source-value" -30.963518 } }