{ "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" [ [ 0.7473383 0.2695112 0.4776175 ] [ -0.2772658 0.1629386 -0.493927 ] [ -0.6138801 -0.2874646 -1.4600934 ] [ -0.1855604 1.8690755 -1.4204614 ] [ -0.5714485 -0.9768539 -0.2045851 ] [ 0.2665619 0.1761843 0.4708171 ] [ -0.0439588 -1.7401522 0.9610639 ] [ 0.6782134 0.526761 1.6695684 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.197367952088417e-09 4.31804543683753e-10 7.65227592184944e-10 ] [ -4.442287825074087e-10 2.610564155458829e-10 -7.913582917818816e-10 ] [ -9.835443441943661e-10 -4.605690614276237e-10 -2.339327509664383e-09 ] [ -2.973005346262963e-10 2.994589068610071e-09 -2.275830045828837e-09 ] [ -9.155614266912288e-10 -1.565092480517301e-09 -3.277814641840301e-10 ] [ 4.270792441760275e-10 2.822783664120134e-10 7.543321502928557e-10 ] [ -7.042976163842304e-11 -2.788031171473686e-09 1.539794111674869e-09 ] [ 1.086617653393279e-09 8.439641589492289e-10 2.674943457306462e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.311706 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.817776641456309e-18 } }