{ "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" [ [ -3.3216273 -4.8442479 -5.1830525 ] [ 7.7223974 -0.0626114 2.9839477 ] [ 6.7673096 -4.4896983 9.0592703 ] [ -29.8569557 24.8866477 -17.6534363 ] [ -7.563189 -6.9440666 -5.4904822 ] [ 14.8669717 -8.3629693 -6.7029158 ] [ 20.3532154 -6.8652448 32.1377078 ] [ -8.9681221 6.6821907 -9.151039 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.321833603071027e-09 -7.761340730739498e-09 -8.304165539878992e-09 ] [ 1.237264457080671e-08 -1.003145212755571e-10 4.780811242629933e-09 ] [ 1.08424252268354e-08 -7.193289650705505e-09 1.45145510761678e-08 ] [ -4.78361163908013e-08 3.987280511502609e-08 -2.828392291664205e-08 ] [ -1.211756459449173e-08 -1.112562115979815e-08 -8.796722217758549e-09 ] [ 2.381951447983523e-08 -1.339895389292814e-08 -1.073925498595093e-08 ] [ 3.260944587198652e-08 -1.099933471462877e-08 5.149028408326181e-08 ] [ -1.43685155610998e-08 1.070604971526719e-08 -1.466158074182901e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -17.240417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.762219305024288e-18 } }