{ "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" [ [ -2.0665561 -5.160959 -0.829317 ] [ 5.1873294 0.7547527 -0.1394275 ] [ 3.8093915 -3.6475252 3.905474 ] [ -17.02363 14.4328116 -6.7280263 ] [ -4.34992 -2.043126 -6.0784957 ] [ 11.5824078 -7.4040314 -3.7089773 ] [ 5.4661663 -4.651506 19.6968537 ] [ -2.6051889 7.7195835 -6.118084 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.310987868991627e-09 -8.268767850707348e-09 -1.328712308631994e-09 ] [ 8.311017889068492e-09 1.209247130425676e-09 -2.23387480796592e-10 ] [ 6.103318000774243e-09 -5.843979599218844e-09 6.257259135942259e-09 ] [ -2.72748619871495e-08 2.312391331793104e-08 -1.077948644198753e-08 ] [ -6.969340126350336e-09 -3.273448710548621e-09 -9.738823700173333e-09 ] [ 1.855706298973156e-08 -1.186256600874909e-08 -5.942436717137908e-09 ] [ 8.75776385126484e-09 -7.452534164710926e-09 3.155783850145798e-08 ] [ -4.173972748347669e-09 1.236813620601344e-08 -9.802251148890546e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.225709 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.240515809890415e-18 } }