{ "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" [ 5.43808 0 0 ] "si-unit" "m" "si-value" [ 5.438080000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.036104 5.43472 0 ] "si-unit" "m" "si-value" [ -3.6104e-12 5.434720000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0778792 -0.0548884 5.50823 ] "si-unit" "m" "si-value" [ 7.78792e-12 -5.48884e-12 5.50823e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0442028 -0.0162787 0.186746 ] [ 1.46625 1.46109 1.35616 ] [ 0.0256733 2.72542 2.65757 ] [ 1.37985 4.00669 4.1027 ] [ 2.74744 0.0130417 2.60748 ] [ 4.13581 1.33996 3.97093 ] [ 2.70334 2.70384 0.0742117 ] [ 4.06803 4.03744 1.33105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.42028e-12 -1.62787e-12 1.86746e-11 ] [ 1.46625e-10 1.46109e-10 1.35616e-10 ] [ 2.56733e-12 2.72542e-10 2.65757e-10 ] [ 1.37985e-10 4.00669e-10 4.1027e-10 ] [ 2.74744e-10 1.30417e-12 2.60748e-10 ] [ 4.13581e-10 1.33996e-10 3.97093e-10 ] [ 2.70334e-10 2.70384e-10 7.42117e-12 ] [ 4.068030000000001e-10 4.03744e-10 1.33105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.936083 1.0706996 -2.7482026 ] [ -1.5013214 -1.4357846 0.5399711 ] [ 0.1683547 0.1251492 0.477263 ] [ 0.0430509 0.6951184 0.5446472 ] [ 0.0262413 -0.4889103 1.1187364 ] [ 0.0228152 -0.51345 1.6184443 ] [ 0.6844185 0.6410104 -2.4976524 ] [ -0.3796421 -0.0938328 0.9467929 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.499770297728326e-09 1.715449867019912e-09 -4.403105954941773e-09 ] [ -2.405382047386725e-09 -2.30038051862468e-09 8.65129072327659e-10 ] [ 2.697339643417977e-10 2.005111223518233e-10 7.646596205728703e-10 ] [ 6.897514548439874e-11 1.113702449167903e-09 8.726210104241818e-10 ] [ 4.204319735939904e-11 -7.833206523283142e-10 1.792413304917957e-09 ] [ 3.655398003887616e-11 -8.2263758594976e-10 2.593033619527022e-09 ] [ 1.096559319543005e-09 1.027011876569656e-09 -4.001680282165011e-09 ] [ -6.082536968914157e-10 -1.503367184242022e-10 1.516929449119432e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.859653 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.502302497540059e-18 } }