{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.449760000000001e-10 0.0 0.0 ] "source-value" [ 5.44976 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.55309e-12 5.38277e-10 0.0 ] "source-value" [ -0.0355309 5.38277 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.055e-12 1.48675e-11 5.46244e-10 ] "source-value" [ 0.05055 0.148675 5.46244 ] } "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" [ [ 7.309682334806114e-09 6.265557609749693e-09 -1.955121037858472e-08 ] [ -6.328696987110489e-10 -1.5223728441886e-09 1.482270828001197e-08 ] [ 5.587089323540028e-09 -6.27169186337775e-09 5.792261017464096e-09 ] [ -1.502131185087906e-08 -1.36652369290464e-08 1.589225570281659e-08 ] [ 1.471929418784581e-08 1.468158215454542e-08 -1.588247970172946e-08 ] [ 3.011244495671597e-09 -3.541740235278712e-09 -4.385476244277139e-09 ] [ 4.02768024414969e-09 1.034347282010327e-08 -4.109800768154767e-09 ] [ -1.900080887620546e-08 -6.289570872724581e-09 7.421742252671094e-09 ] ] "source-value" [ [ 4.5623449 3.9106535 -12.2029058 ] [ -0.3950062 -0.9501904 9.2516069 ] [ 3.4871869 -3.9144822 3.615245 ] [ -9.3755655 -8.5291701 9.9191659 ] [ 9.1870609 9.1635229 -9.9130642 ] [ 1.879471 -2.2105804 -2.737199 ] [ 2.5138803 6.455888 -2.5651359 ] [ -11.8593722 -3.9256414 4.6322872 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.26933e-12 -2.89977e-12 1.41129e-11 ] [ 1.38935e-10 1.3881e-10 1.19735e-10 ] [ 1.27821e-12 2.83796e-10 2.59214e-10 ] [ 1.40644e-10 4.238000000000001e-10 3.96398e-10 ] [ 2.76811e-10 5.11022e-12 2.830360000000001e-10 ] [ 4.1335e-10 1.52222e-10 4.23862e-10 ] [ 2.69114e-10 2.71897e-10 2.78438e-14 ] [ 4.17588e-10 4.12802e-10 1.32379e-10 ] ] "source-value" [ [ 0.0326933 -0.0289977 0.141129 ] [ 1.38935 1.3881 1.19735 ] [ 0.0127821 2.83796 2.59214 ] [ 1.40644 4.238 3.96398 ] [ 2.76811 0.0511022 2.83036 ] [ 4.1335 1.52222 4.23862 ] [ 2.69114 2.71897 0.000278438 ] [ 4.17588 4.12802 1.32379 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.198925347306612e-18 "source-value" -32.44914 } }