{ "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" [ [ 0.7066607 0.280433 0.5780772 ] [ -0.2864453 0.2240968 -0.4790015 ] [ -0.6038036 -0.2144649 -1.5039382 ] [ -0.0552191 1.9403583 -1.3254797 ] [ -0.6479199 -1.159102 -0.1944526 ] [ 0.2796915 0.2207812 0.3500879 ] [ -0.1123444 -1.7628561 0.9113635 ] [ 0.7193803 0.4707538 1.6633435 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.132195252378162e-09 4.493031963008064e-10 9.261817748575257e-10 ] [ -4.589359627980423e-10 3.590426537560934e-10 -7.674450046281313e-10 ] [ -9.674000114748749e-10 -3.436106487622099e-10 -2.409574623168035e-09 ] [ -8.847075104161729e-11 3.108796704235233e-09 -2.123652586684998e-09 ] [ -1.038082115931074e-09 -1.857086125522522e-09 -3.115474095737741e-10 ] [ 4.481151823364832e-10 3.53730476952169e-10 5.609026486049683e-10 ] [ -1.799955711578035e-10 -2.824406829254667e-09 1.460165292750461e-09 ] [ 1.15257429812409e-09 7.54230732512759e-10 2.664970068059645e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.554069 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.657695785091003e-18 } }