{ "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" [ [ -1.1497507 -3.2179977 -0.8222154 ] [ 3.1629399 -0.5024588 -0.0375137 ] [ 2.5880018 -1.5652171 3.1403205 ] [ -9.6623745 7.8088643 -4.3126208 ] [ -2.5622674 -2.9284118 -3.3056061 ] [ 6.5285486 -4.3704576 -2.8443001 ] [ 3.9827902 0.0372524 11.9991688 ] [ -2.8878879 4.7384263 -3.8172332 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.842103691288434e-09 -5.155800680728173e-09 -1.31733429114172e-09 ] [ 5.067588360775491e-09 -8.050277422752231e-10 -6.010357309970496e-11 ] [ 4.146435978548317e-09 -2.507754244096375e-09 5.031348086918966e-09 ] [ -1.548083052531409e-08 1.251117981645976e-08 -6.909580220135793e-09 ] [ -4.105204924518002e-09 -4.691832922034845e-09 -5.296164810993867e-09 ] [ 1.045988793467657e-08 -7.002244988917678e-09 -4.557071122759102e-09 ] [ 6.381133343991356e-09 5.968492434868992e-11 1.922478772039279e-08 ] [ -4.626906476871208e-09 7.591795837243847e-09 -6.115881789181571e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.427062240654237 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.350164210400268e-18 } }