{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39854e-10 0.0 0.0 ] "source-value" [ 5.39854 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] "source-value" [ 0.0197648 5.43736 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] "source-value" [ -0.0299081 -0.213673 5.1785 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.495474201168592e-09 1.719379173138891e-08 -3.857332499949359e-09 ] [ -1.376455842125239e-08 1.464745803556965e-08 -2.804288874210865e-08 ] [ -4.345584449684151e-09 3.929415868078109e-09 7.159367566201616e-09 ] [ -7.212262145596032e-10 4.737327688488434e-09 -1.169460406575479e-08 ] [ 2.31919058484939e-08 -2.448606417416276e-08 2.35706773847232e-08 ] [ 6.785059373602541e-09 -9.93746348023206e-09 -4.147309805677301e-09 ] [ -3.471777508125252e-09 -4.083157692474498e-09 9.370225024180138e-09 ] [ -1.016929282964365e-08 -2.001307816438117e-09 7.641865138385144e-09 ] ] "source-value" [ [ 1.5575525 10.7315208 -2.4075576 ] [ -8.5911617 9.1422243 -17.5029946 ] [ -2.7123005 2.4525485 4.4685258 ] [ -0.450154 2.9568074 -7.2991978 ] [ 14.4752492 -15.2829993 14.7116598 ] [ 4.234901 -6.2024769 -2.5885472 ] [ -2.1669131 -2.5485066 5.8484345 ] [ -6.3471734 -1.2491181 4.7696771 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.57946e-11 -2.85755e-11 3.780800000000001e-11 ] [ 1.35651e-10 1.53389e-10 1.4884e-10 ] [ 2.92057e-13 2.68505e-10 2.57873e-10 ] [ 1.38402e-10 4.097260000000001e-10 4.02157e-10 ] [ 2.45639e-10 4.43756e-11 2.59681e-10 ] [ 4.091370000000001e-10 1.38211e-10 4.21726e-10 ] [ 2.67291e-10 2.94824e-10 -1.6912e-11 ] [ 4.08439e-10 3.99712e-10 1.2513e-10 ] ] "source-value" [ [ 0.157946 -0.285755 0.37808 ] [ 1.35651 1.53389 1.4884 ] [ 0.00292057 2.68505 2.57873 ] [ 1.38402 4.09726 4.02157 ] [ 2.45639 0.443756 2.59681 ] [ 4.09137 1.38211 4.21726 ] [ 2.67291 2.94824 -0.16912 ] [ 4.08439 3.99712 1.2513 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.544263483070089e-18 "source-value" -28.363062 } }