{ "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" [ [ -2.2067281 0.1910667 -2.9012873 ] [ 1.8584347 -0.7843206 0.0317111 ] [ 7.0138947 -0.0573255 6.0007613 ] [ -13.4709805 11.4517465 -11.478213 ] [ -1.9742306 -9.8492943 -3.8603744 ] [ 8.367946 -7.7659692 -1.8409271 ] [ 10.0359944 0.4987673 17.7178455 ] [ -9.6243306 6.3153292 -3.6695161 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.535568170282404e-09 3.061225997534074e-10 -4.648374682283955e-09 ] [ 2.977540627623462e-09 -1.256620128531829e-09 5.080678303985087e-11 ] [ 1.123749810909303e-08 -9.18455758756704e-11 9.614279461861416e-09 ] [ -2.15828900163527e-08 1.834772050962823e-08 -1.839012451716263e-08 ] [ -3.163066111387956e-09 -1.57803090588387e-08 -6.185001611214828e-09 ] [ 1.340692744531688e-08 -1.244245429009288e-08 -2.949490360217143e-09 ] [ 1.607943559415973e-08 7.991133072795399e-10 2.838711783104649e-08 ] [ -1.541987747817004e-08 1.011827279689557e-08 -5.879212905069195e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.012406 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.764381943195765e-18 } }