{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3045019 -0.1643203 0.2631076 ] [ -0.4407421 1.3347738 -2.7329771 ] [ -1.7158489 0.5873964 0.2760485 ] [ 2.851062 0.8303965 0.3247824 ] [ 0.5109627 -3.0859182 2.1877194 ] [ 0.0077816 0.890713 1.4596603 ] [ -0.6637643 -0.456357 -1.484841 ] [ 0.755051 0.0633157 -0.2935 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.090042445969179e-09 -2.632701429828423e-10 4.215448454747981e-10 ] [ -7.061466884222958e-10 2.138543376416375e-09 -4.378712014801783e-09 ] [ -2.749092992405397e-09 9.41112779222085e-10 4.422784529069088e-10 ] [ 4.56790488085129e-09 1.330441858294147e-09 5.20358768127314e-10 ] [ 8.186524920408441e-10 -4.944185993741218e-09 3.505112875550604e-09 ] [ 1.246749759241728e-11 1.42707954444263e-09 2.338633606969914e-09 ] [ -1.063467643181677e-09 -7.311645161384257e-10 -2.378977535805293e-09 ] [ 1.209725059711661e-09 1.014429342695866e-10 -4.702388382047999e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.103175 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.784366292165104e-18 } }