{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5548771 -0.0892162 0.021953 ] [ -0.2039312 0.3539949 -0.3148734 ] [ -0.5908278 -0.8426286 -1.0961376 ] [ -1.7231669 3.0597781 -1.8011102 ] [ -0.3974407 -0.880431 -0.5389125 ] [ 0.3975752 0.6229675 0.946209 ] [ 1.1465267 -3.4537025 1.1956633 ] [ 0.8163874 1.2292378 1.5872084 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.890111170373037e-10 -1.42940109836617e-10 3.51725833564224e-11 ] [ -3.26733800891689e-10 5.67162352662434e-10 -5.044827999918067e-10 ] [ -9.466104880786983e-10 -1.350039842937435e-09 -1.756206035899822e-09 ] [ -2.760817720916412e-09 4.902304936655845e-09 -2.885696653924412e-09 ] [ -6.367701976943865e-10 -1.410605964427565e-09 -8.6343300815688e-10 ] [ 6.369856904498842e-10 9.981039640182242e-10 1.515993938190547e-09 ] [ 1.836938273862975e-09 -5.533441400698512e-09 1.915663785608577e-09 ] [ 1.307996805795698e-09 1.969456064563626e-09 2.542988190817375e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -60.781534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.738275275116031e-18 } }