{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -20.474159 19.4787968 19.4729215 ] [ -47.7277408 -42.4690186 26.9453688 ] [ -17.5251334 -27.8414694 -23.673757 ] [ 35.2293312 -3.156909 12.8532841 ] [ 0.0558937 1.9092189 -9.5594056 ] [ 6.1985507 6.0131321 4.8701473 ] [ 43.7968891 41.7575365 -29.4234378 ] [ 0.4463686 4.3087127 -1.4851213 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.280321888034191e-08 3.120847283427385e-08 3.119905956597367e-08 ] [ -7.646827047336229e-08 -6.804286870924035e-08 4.317123993019376e-08 ] [ -2.807835900988122e-08 -4.46069513613986e-08 -3.792953999190034e-08 ] [ 5.644361081506e-08 -5.057925793793108e-09 2.059323128552037e-08 ] [ 8.955157939000897e-11 3.058905885569493e-09 -1.53158561610646e-08 ] [ 9.931173014383475e-09 9.634099668402007e-09 7.802836143912244e-09 ] [ 7.017035177979035e-08 6.690294872250266e-08 -4.714154414672298e-08 ] [ 7.15161335179227e-10 6.903318753684044e-09 -2.379426625912103e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.0542591 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.49563914468565e-19 } }