{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4964504 -3.9688347 2.8673365 ] [ 5.8577657 -5.9025873 -1.9154577 ] [ -0.1529215 1.4660076 10.8821026 ] [ -13.0191168 -14.6928835 11.7294076 ] [ 10.4082097 17.4086086 -8.6367025 ] [ -3.9791111 2.4434675 -3.2495285 ] [ -0.6636395 -1.2449694 -5.4996722 ] [ 3.0452639 4.4911912 -6.1774857 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.397577864819954e-09 -6.358774220548399e-09 4.593979542115341e-09 ] [ 9.385175331986653e-09 -9.456987452205148e-09 -3.068901570355381e-09 ] [ -2.45007254136231e-10 2.348803121986418e-09 1.743505051451065e-08 ] [ -2.085892473227685e-08 -2.354059462978414e-08 1.879258278738202e-08 ] [ 1.667579038311215e-08 2.789166592937145e-08 -1.383752294030938e-08 ] [ -6.375238828510037e-09 3.914866534438395e-09 -5.206318634217068e-09 ] [ -1.063267700299443e-09 -1.994660882724999e-09 -8.811446293499373e-09 ] [ 4.879050664943712e-09 7.19568159946642e-09 -9.897423245409132e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.717879 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.402199788183929e-18 } }