{ "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" [ [ -0.8666475 -6.058986 1.7773726 ] [ 3.8346718 0.8543174 -1.6354354 ] [ 6.3157276 -4.850508 1.6630783 ] [ -23.3342404 20.8561566 -6.8175347 ] [ -6.5106143 0.8274407 -13.1743177 ] [ 19.1347727 -14.3848421 -1.3579896 ] [ 2.8645228 -8.8314446 28.16941 ] [ -1.4381927 11.5878661 -8.6245834 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.388522362974768e-09 -9.70756571495451e-09 2.847664826170511e-09 ] [ 6.143821506401054e-09 1.368767365022642e-09 -2.620256362708696e-09 ] [ 1.011891110406129e-08 -7.771370516603366e-09 2.664545170819809e-09 ] [ -3.738557443300684e-08 3.341524650426362e-08 -1.092289470783274e-08 ] [ -1.043115401850616e-08 1.325706144638386e-09 -2.110758381393163e-08 ] [ 3.065728546426209e-08 -2.304705770651958e-08 -2.175739188409544e-09 ] [ 4.589471459908554e-09 -1.414953406601041e-08 4.513237012372973e-08 ] [ -2.304238720145228e-09 1.856580815038087e-08 -1.381810588761978e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -15.828438 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.535995330738231e-18 } }