{ "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" [ 5.48581 0 0 ] "si-unit" "m" "si-value" [ 5.48581e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00228581 5.44331 0 ] "si-unit" "m" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0206328 -0.0957916 5.42731 ] "si-unit" "m" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6255948 0.8059007 -0.3346537 ] [ -0.7094795 1.3761076 -1.4893306 ] [ 0.2441331 -0.0851359 1.1591451 ] [ 0.026127 -0.6631114 -0.7339553 ] [ 0.9142208 0.6904004 3.8219846 ] [ -1.6324074 0.5390697 -0.9478886 ] [ -0.5672121 -1.1195821 -1.2912778 ] [ 1.0990233 -1.5436492 -0.1840237 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.002313362654052e-09 1.291195260226355e-09 -5.36174334204217e-10 ] [ -1.136711467836874e-09 2.204767424425198e-09 -2.386170667962036e-09 ] [ 3.911443451834285e-10 -1.364027485707667e-10 1.857155179334878e-09 ] [ 4.18600685716416e-11 -1.062421582065957e-09 -1.17592602237225e-09 ] [ 1.464743192009073e-09 1.106143379870969e-09 6.123494371177639e-09 ] [ -2.615404971900914e-09 8.636848703216698e-10 -1.518684954042843e-09 ] [ -9.087739656548716e-10 -1.793768265686168e-09 -2.068855102118058e-09 ] [ 1.760829436974465e-09 -2.473198658956624e-09 -2.94838469813113e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.282055 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.813026027557975e-18 } }