{ "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" [ [ -4.1717408 -6.8583672 -0.5303631 ] [ 5.0880579 0.5103186 0.4684647 ] [ 7.9991453 -5.7395788 5.4316396 ] [ -21.3516195 18.3348245 -9.9655472 ] [ -5.6548314 -4.0888318 -8.8160831 ] [ 14.5297178 -10.5294715 -0.0459721 ] [ 8.0352061 -4.7199586 25.142376 ] [ -4.4739355 13.0910647 -11.6845147 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.68386557779749e-09 -1.098831558470156e-08 -8.497353593550124e-10 ] [ 8.151967412656744e-09 8.176205300793868e-10 7.505631900100858e-10 ] [ 1.28160435860422e-08 -9.195818966599319e-09 8.702445979731463e-09 ] [ -3.420906557911739e-08 2.937562716037105e-08 -1.59665667373189e-08 ] [ -9.060038663645734e-09 -6.551030716343582e-09 -1.412492222984999e-08 ] [ 2.327917416598161e-08 -1.687007306667991e-08 -7.365542382907969e-11 ] [ 1.287381935672955e-08 -7.5622073200639e-09 4.028252701856302e-08 ] [ -7.168034861067158e-09 2.097419780372017e-08 -1.872065627773392e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.668113 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.990961420305255e-18 } }