{ "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" [ [ -1.607017 -8.3689148 -1.6776269 ] [ 7.8483624 2.4050104 -1.3128677 ] [ 10.1483365 -1.8215118 11.3135871 ] [ -26.2142297 15.0169587 -15.5026163 ] [ -6.6209034 -10.0314988 -5.0204179 ] [ 13.747323 -8.2455834 -11.9185857 ] [ 11.7863546 1.8448431 35.5092232 ] [ -9.0882264 9.2006965 -11.3906959 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.574725066628154e-09 -1.340847963402711e-08 -2.68785459760518e-09 ] [ 1.257446274884578e-08 3.853251435660856e-09 -2.103445935143468e-09 ] [ 1.62594274803113e-08 -2.918383620471325e-09 1.812636474900447e-08 ] [ -4.1999825957621e-08 2.405982014465916e-08 -2.4837929397093e-08 ] [ -1.060785663605523e-08 -1.607223284894326e-08 -8.043596186025832e-09 ] [ 2.202563950918612e-08 -1.321088094833657e-08 -1.90956793615412e-08 ] [ 1.888382178457854e-08 2.955764483864197e-09 5.689204723380896e-08 ] [ -1.456094386261735e-08 1.474114082737639e-08 -1.824990666562242e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 26.281821 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.210811915825048e-18 } }