{ "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" [ [ 0.9832928 1.3070266 -3.3869862 ] [ -1.6200149 -1.5618088 0.4493203 ] [ 0.1960158 0.1358081 0.5996352 ] [ 0.0435504 0.9016994 0.7859202 ] [ -0.065318 -0.6127797 1.3565259 ] [ 0.1305974 -0.7148744 2.2283492 ] [ 0.6874372 0.5941037 -2.9515385 ] [ -0.3555608 -0.0491748 0.9187738 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.575408748540435e-09 2.094087478536464e-09 -5.426550149320451e-09 ] [ -2.595550019511846e-09 -2.502293566135579e-09 7.198904858418701e-10 ] [ 3.140519346548172e-10 2.175885645279354e-10 9.607215063639168e-10 ] [ 6.977543328135359e-11 1.444681709571819e-09 1.259182980628607e-09 ] [ -1.04650973379612e-10 -9.817813171295298e-10 2.173394100395821e-09 ] [ 2.092401027411516e-10 -1.14535505992477e-09 3.570209020632592e-09 ] [ 1.101395819182385e-09 9.518590663129457e-10 -4.728886019051409e-09 ] [ -5.696712057263471e-10 -7.878671554162319e-11 1.472037914291389e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.618918292303476 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.546562198228381e-18 } }