{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.18551 0 0 ] "si-unit" "m" "si-value" [ 5.18551e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.238045 5.44258 0 ] "si-unit" "m" "si-value" [ 2.38045e-11 5.44258e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0219846 -0.0831786 5.06218 ] "si-unit" "m" "si-value" [ 2.19846e-12 -8.31786e-12 5.06218e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3204577 -4.9959565 -1.4672722 ] [ 5.5035638 0.8356374 -0.4155138 ] [ 4.3127656 -4.0655532 5.3033425 ] [ -17.6721454 15.3258809 -9.5960313 ] [ -4.763215 -3.6632891 -5.7556099 ] [ 11.7495481 -6.2725267 -3.9909367 ] [ 7.4588027 -4.9324823 22.1850919 ] [ -4.2688622 7.7682894 -6.2630705 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.717783107125381e-09 -8.00440476878042e-09 -2.350829234557775e-09 ] [ 8.817681324088248e-09 1.338838716776511e-09 -6.657265014645492e-10 ] [ 6.909812272238989e-09 -6.513734341323929e-09 8.496891435599144e-09 ] [ -2.831389843253058e-08 2.455476827344689e-08 -1.537453712799264e-08 ] [ -7.631511775718308e-09 -5.869236199606889e-09 -9.221503696199076e-09 ] [ 1.882485142587909e-08 -1.004969571488113e-08 -6.394185528513067e-09 ] [ 1.195031940355611e-08 -7.902707888678578e-09 3.554443586532266e-08 ] [ -6.839471270605834e-09 1.244617176282988e-08 -1.00345452121947e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -21.309778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.414202838732725e-18 } }