{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.870873 1.4319059 -1.3622942 ] [ -0.7308653 -0.1781609 -0.717936 ] [ -1.0733922 -0.4782795 -1.5677263 ] [ 0.022151 1.9992741 1.8662473 ] [ 0.6764333 -1.1715826 1.0694973 ] [ 0.7983251 -1.4094285 -1.095363 ] [ -1.0481239 0.2716203 -0.3699152 ] [ -0.5154009 -0.4653487 2.17749 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.997469005781481e-09 2.29416617506674e-09 -2.182635935873722e-09 ] [ -1.1709753062614e-09 -2.854452310724106e-10 -1.150260283907424e-09 ] [ -1.719763901957855e-09 -7.66288239421203e-10 -2.511774446367274e-09 ] [ 3.5489814619734e-11 3.203190247981379e-09 2.990057817325587e-09 ] [ 1.083765627719512e-09 -1.877082266520968e-09 1.713523584186088e-09 ] [ 1.279057821555713e-09 -2.258153409993669e-09 -1.754965004348142e-09 ] [ -1.679279622116952e-09 4.351836979800702e-10 -5.926694900014368e-10 ] [ -8.257632791225705e-10 -7.455708138022757e-10 3.48872359876866e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.672953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.71543717623802e-18 } }