{ "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" [ [ 1.0642405 0.1411744 0.7680856 ] [ -0.3490025 0.2043959 -0.4458486 ] [ -0.780464 -0.7442102 -1.7707186 ] [ -0.3768872 2.2054538 -2.0351786 ] [ -0.5108279 -0.8228614 -0.4416648 ] [ 0.2581763 0.0373881 0.7705009 ] [ -0.0544017 -1.8690356 1.3644389 ] [ 0.7491664 0.847695 1.7903852 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.705101248008502e-09 2.261863231354675e-10 1.230608791093141e-09 ] [ -5.591636461007521e-10 3.274783323673747e-10 -7.143282033364109e-10 ] [ -1.250441174176051e-09 -1.192356183400892e-09 -2.837003942935707e-09 ] [ -6.038398605187737e-10 3.533526516614519e-09 -3.260715572072475e-09 ] [ -8.184365186323603e-10 -1.318369297238757e-09 -7.076250167903079e-10 ] [ 4.13644031904647e-10 5.990233971613249e-11 1.234478528285359e-09 ] [ -8.716113187177537e-11 -2.9945251417629e-09 2.186072106090069e-09 ] [ 1.200296891168901e-09 1.358157110569056e-09 2.868513309666332e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.017113 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.770577639731176e-18 } }