{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] "source-value" [ 5.37283 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] "source-value" [ -0.256601 5.36059 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] "source-value" [ 0.0433697 -0.246629 5.47376 ] } "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" [ [ 2.889210067036164e-09 4.408323282889748e-09 -6.077763283672483e-09 ] [ 6.262176215991494e-10 1.055138567800787e-09 7.933214387953478e-10 ] [ 7.916160820001684e-10 2.970728653284806e-09 -2.606269521026774e-09 ] [ -1.495475823513934e-09 -2.441376226914294e-09 2.000343946983043e-09 ] [ 1.998189019428067e-09 1.501342994299304e-09 1.143002254120783e-09 ] [ -3.689990599307308e-10 -4.346719431602325e-09 -3.478661900847168e-10 ] [ -1.83738848549342e-09 1.633214466951124e-09 8.70784916016745e-10 ] [ -2.603369421125465e-09 -4.780652466926811e-09 4.224446438868055e-09 ] ] "source-value" [ [ 1.8033031 2.751459 -3.7934415 ] [ 0.3908543 0.6585657 0.4951523 ] [ 0.4940879 1.854183 -1.6267055 ] [ -0.9334026 -1.5237872 1.2485165 ] [ 1.2471715 0.9370646 0.7134059 ] [ -0.2303111 -2.7130089 -0.217121 ] [ -1.1468077 1.0193723 0.5435012 ] [ -1.6248954 -2.9838486 2.6366921 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.70324e-13 -2.80673e-13 1.44383e-11 ] [ 1.34461e-10 1.35881e-10 1.37149e-10 ] [ -2.21547e-12 2.59799e-10 2.84643e-10 ] [ 1.34697e-10 4.04373e-10 4.10747e-10 ] [ 2.75027e-10 9.09757e-13 2.6523e-10 ] [ 4.11164e-10 1.31842e-10 4.20835e-10 ] [ 2.66226e-10 2.78619e-10 -1.7694e-12 ] [ 3.99298e-10 4.09333e-10 1.38778e-10 ] ] "source-value" [ [ 0.00270324 -0.00280673 0.144383 ] [ 1.34461 1.35881 1.37149 ] [ -0.0221547 2.59799 2.84643 ] [ 1.34697 4.04373 4.10747 ] [ 2.75027 0.00909757 2.6523 ] [ 4.11164 1.31842 4.20835 ] [ 2.66226 2.78619 -0.017694 ] [ 3.99298 4.09333 1.38778 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.373853073595163e-18 "source-value" -33.540953 } }