{ "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" [ [ 4.306613906648122e-10 7.849928440674433e-11 -1.28090015391408e-09 ] [ 3.494750958473242e-10 -5.347056188959296e-11 1.142018998328598e-09 ] [ 2.742982450991328e-10 -1.157997986420822e-09 9.830467081359457e-10 ] [ -1.029836193516803e-09 -6.864596227588916e-10 5.602287731182598e-10 ] [ 9.945825400233677e-10 1.190157516424168e-09 -7.083383058218881e-10 ] [ 5.159043966861658e-10 -2.4140796233904e-11 -8.960252860655039e-10 ] [ 1.358437491477696e-10 8.806349376637613e-10 -1.600127436901997e-10 ] [ -1.670929384169431e-09 -2.272229314091251e-10 3.599821701265306e-10 ] ] "source-value" [ [ 0.2687977 0.0489954 -0.799475 ] [ 0.2181252 -0.0333737 0.7127922 ] [ 0.1712035 -0.7227655 0.6135695 ] [ -0.6427732 -0.4284544 0.3496673 ] [ 0.6207696 0.7428379 -0.44211 ] [ 0.3220022 -0.0150675 -0.559255 ] [ 0.084787 0.5496491 -0.0998721 ] [ -1.0429121 -0.1418214 0.2246832 ] ] } "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" 2.426581888215489e-17 "source-value" 151.45533 } }