{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1747946 1.1303757 -2.2329442 ] [ -0.6261009 0.1743114 0.4257808 ] [ -0.5604727 -0.5656343 -1.3934748 ] [ -1.4444179 -1.0186703 3.3209128 ] [ 3.2595913 1.6090985 -2.048489 ] [ -0.1782448 -1.5842122 -0.1991122 ] [ -0.0771371 0.8875211 0.1521148 ] [ -1.5480126 -0.6327899 1.9752119 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.882228442362088e-09 1.811061519260435e-09 -3.577570992790959e-09 ] [ -1.003124224241839e-09 2.792776498189171e-10 6.821760433455207e-10 ] [ -8.979762565366523e-10 -9.062460513825736e-10 -2.232592746233956e-09 ] [ -2.314212590045032e-09 -1.632089738963322e-09 5.320688847875466e-09 ] [ 5.22244097422308e-09 2.578059997264349e-09 -3.282041183765971e-09 ] [ -2.855796513391719e-10 -2.538187749226134e-09 -3.190129117560538e-10 ] [ -1.235872582163117e-10 1.421965556886699e-09 2.437147762376679e-10 ] [ -2.480189596423822e-09 -1.01384118365837e-09 3.164638327305947e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.020998 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.771200085348356e-18 } }