{ "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" [ 5.4484 0 0 ] "si-unit" "m" "si-value" [ 5.448400000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00476084 5.4399 0 ] "si-unit" "m" "si-value" [ 4.76084e-13 5.4399e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0697031 -0.0639637 5.39979 ] "si-unit" "m" "si-value" [ -6.970310000000001e-12 -6.39637e-12 5.39979e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00902537 -0.0303023 -0.0491559 ] [ 1.28054 1.44048 1.35481 ] [ -0.0535965 2.57981 2.82719 ] [ 1.28029 4.0563 4.12138 ] [ 2.62772 -0.0777145 2.68834 ] [ 4.08246 1.48548 4.03991 ] [ 2.84369 2.84518 0.0189163 ] [ 4.03071 4.03913 1.36727 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.02537e-13 -3.03023e-12 -4.91559e-12 ] [ 1.28054e-10 1.44048e-10 1.35481e-10 ] [ -5.35965e-12 2.57981e-10 2.82719e-10 ] [ 1.28029e-10 4.0563e-10 4.12138e-10 ] [ 2.62772e-10 -7.771450000000001e-12 2.68834e-10 ] [ 4.08246e-10 1.48548e-10 4.03991e-10 ] [ 2.84369e-10 2.84518e-10 1.89163e-12 ] [ 4.03071e-10 4.03913e-10 1.36727e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2833346 1.1519525 1.1134041 ] [ 1.3975115 -0.8658776 -0.3992724 ] [ 1.4913693 3.5537339 -2.8764479 ] [ 0.9995164 -0.6224294 -0.945013 ] [ -0.8141437 0.0478751 -0.5899772 ] [ -1.3419684 -2.758142 2.8981331 ] [ -2.9110321 -2.0700096 -0.9494302 ] [ 2.4620815 1.5628971 1.7486034 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.056128709723736e-09 1.845631378977885e-09 1.783870033219799e-09 ] [ 2.239060271046291e-09 -1.387288858623998e-09 -6.397049098811016e-10 ] [ 2.389437045124936e-09 5.693709418033693e-09 -4.608577614298368e-09 ] [ 1.601401821379797e-09 -9.972418409946395e-10 -1.514077747426242e-09 ] [ -1.304402012858306e-09 7.670436657041339e-11 -9.452476844327447e-10 ] [ -2.150070414046365e-09 -4.419030665654027e-09 4.643321135041985e-09 ] [ -4.663987611443951e-09 -3.316521013275686e-09 -1.521154882053947e-09 ] [ 3.944689450303671e-09 2.504037214966362e-09 2.801571509612955e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.967571 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.442204856993601e-18 } }