{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] "source-value" [ 5.42333 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] "source-value" [ 0.0707092 5.40512 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] "source-value" [ -0.00203562 -0.0726392 5.50089 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.053842727349883e-09 9.45886945116745e-10 3.241764065695679e-10 ] [ 7.052986563369063e-10 2.76119118828672e-12 -1.743481869612753e-09 ] [ -5.507450090467583e-11 9.949741119894913e-11 -9.673626807596103e-10 ] [ 1.659537267524895e-09 -5.622479963134541e-10 1.072935385486971e-09 ] [ -1.458221532074106e-09 -1.575634962899827e-10 -3.02797282176937e-10 ] [ 3.845576368776576e-10 -1.092936477768052e-09 3.069540332890053e-09 ] [ -2.230486204412928e-10 1.297609414110065e-09 1.1317421568298e-09 ] [ 4.079365981283711e-11 -5.330071514602195e-10 -2.584752449227093e-09 ] ] "source-value" [ [ -0.6577569 0.5903762 0.202335 ] [ 0.4402128 0.0017234 -1.0881958 ] [ -0.0343748 0.0621014 -0.6037803 ] [ 1.0358017 -0.3509276 0.6696736 ] [ -0.9101503 -0.0983434 -0.1889912 ] [ 0.240022 -0.6821573 1.9158564 ] [ -0.139216 0.8099041 0.7063779 ] [ 0.0254614 -0.3326769 -1.6132756 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.879807793248498e-18 "source-value" -36.698874 } }