{ "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" [ [ 3.0695345 2.1977016 0.7171082 ] [ -0.7414417 2.3530725 -4.0230707 ] [ -4.2489867 -1.5644464 -7.2305955 ] [ -4.6328025 15.913412 -8.737762 ] [ -3.8388908 -8.0471919 -1.3106997 ] [ 1.8859794 3.7211285 5.1740789 ] [ 3.838687 -17.9832799 5.4994547 ] [ 4.6679208 3.4096037 9.9114862 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.917936453156873e-09 3.521106152024414e-09 1.148934002089799e-09 ] [ -1.187920567213238e-09 3.770037777607965e-09 -6.445669872470023e-09 ] [ -6.807627208916766e-09 -2.506519467225417e-09 -1.158469116000554e-08 ] [ -7.422567915436785e-09 2.54960968736152e-08 -1.399943810985311e-08 ] [ -6.150581140237566e-09 -1.289302283149406e-08 -2.09997243353081e-09 ] [ 3.02167212688534e-09 5.961905134811468e-09 8.289788316052421e-09 ] [ 6.150254616639558e-09 -2.881239085846185e-08 8.811097820081479e-09 ] [ 7.478833635122587e-09 5.462787379339945e-09 1.587995159785345e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -33.593689 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.382302356566282e-18 } }