{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.18551e-10 0.0 0.0 ] "source-value" [ 5.18551 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.38045e-11 5.44258e-10 0.0 ] "source-value" [ 0.238045 5.44258 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.19846e-12 -8.31786e-12 5.06218e-10 ] "source-value" [ 0.0219846 -0.0831786 5.06218 ] } "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" [ [ -4.189502966768408e-09 -7.479583552382229e-09 -2.012631039487958e-09 ] [ 1.035101907198724e-08 2.483639563341391e-09 -2.286719719885091e-09 ] [ 6.781511033040455e-09 -8.145455365781503e-09 9.479910676510753e-09 ] [ -3.237450509557735e-08 2.803419084566965e-08 -1.724746657079766e-08 ] [ -8.876782182411616e-09 -8.306704348952312e-09 -8.99999068607477e-09 ] [ 2.132352774236565e-08 -1.066136356735412e-08 -9.061905680061953e-09 ] [ 1.418541929752776e-08 -9.513326793637794e-09 4.100669595092205e-08 ] [ -7.200686900163739e-09 1.358860337931458e-08 -1.087789261069005e-08 ] ] "source-value" [ [ -2.6148821 -4.6683889 -1.2561855 ] [ 6.460598 1.5501659 -1.4272582 ] [ 4.2326863 -5.0839934 5.9168949 ] [ -20.2065769 17.4975658 -10.765022 ] [ -5.5404517 -5.1846371 -5.6173524 ] [ 13.3090993 -6.6542998 -5.6559967 ] [ 8.8538424 -5.9377516 25.5943667 ] [ -4.4943153 8.4813392 -6.7894466 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 7.72431e-12 3.50103e-11 2.02788e-11 ] [ 1.30878e-10 1.27698e-10 1.65073e-10 ] [ 9.02711e-12 2.6496e-10 2.76502e-10 ] [ 1.60148e-10 3.65596e-10 4.18013e-10 ] [ 2.76894e-10 -1.78197e-11 3.21948e-10 ] [ 3.70957e-10 1.45836e-10 3.94737e-10 ] [ 2.83791e-10 2.83658e-10 -1.51442e-11 ] [ 4.06532e-10 3.74454e-10 1.70854e-10 ] ] "source-value" [ [ 0.0772431 0.350103 0.202788 ] [ 1.30878 1.27698 1.65073 ] [ 0.0902711 2.6496 2.76502 ] [ 1.60148 3.65596 4.18013 ] [ 2.76894 -0.178197 3.21948 ] [ 3.70957 1.45836 3.94737 ] [ 2.83791 2.83658 -0.151442 ] [ 4.06532 3.74454 1.70854 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.057421468930322e-18 "source-value" -19.082924 } }