{ "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" [ [ 1.2160517 0.4134542 0.584837 ] [ -0.4135574 0.2563303 -0.774483 ] [ -1.0156797 -0.5391286 -2.2292 ] [ -0.8813277 3.1924545 -2.3092853 ] [ -0.8274908 -1.4949891 -0.5105008 ] [ 0.4898434 0.3935926 1.0402152 ] [ 0.3354142 -3.1541662 1.4783865 ] [ 1.0967462 0.9324521 2.7200304 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.948329603424095e-09 6.624266530115675e-10 9.370121683788098e-10 ] [ -6.62591997638834e-10 4.106864138626502e-10 -1.240858555807046e-09 ] [ -1.627298269561158e-09 -8.637792385246348e-10 -3.57157212308736e-09 ] [ -1.412042636203436e-09 5.114875962867754e-09 -3.699882918417114e-09 ] [ -1.325786413687089e-09 -2.395236584370833e-09 -8.179124466596966e-10 ] [ 7.848156433331827e-10 6.306048618398862e-10 1.666608474040796e-09 ] [ 5.373927895243353e-10 -5.053531343757577e-09 2.368636286806339e-09 ] [ 1.757181120591241e-09 1.493952954635864e-09 4.357969114745273e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.036886 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.773745623563483e-18 } }