{ "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" [ 5.46441 0 0 ] "si-unit" "m" "si-value" [ 5.46441e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.239301 5.60761 0 ] "si-unit" "m" "si-value" [ 2.39301e-11 5.60761e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.167861 -0.733416 5.71653 ] "si-unit" "m" "si-value" [ 1.67861e-11 -7.33416e-11 5.71653e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00327702 -0.0382766 0.433443 ] [ 1.09616 1.45225 1.46895 ] [ 0.130178 2.57242 2.88603 ] [ 1.56489 3.87283 4.50025 ] [ 2.74098 -0.214768 2.33093 ] [ 4.21449 1.24218 3.87733 ] [ 2.20243 2.94328 0.228142 ] [ 4.00805 4.02926 1.38377 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.27702e-13 -3.82766e-12 4.33443e-11 ] [ 1.09616e-10 1.45225e-10 1.46895e-10 ] [ 1.30178e-11 2.57242e-10 2.88603e-10 ] [ 1.56489e-10 3.87283e-10 4.500250000000001e-10 ] [ 2.74098e-10 -2.14768e-11 2.33093e-10 ] [ 4.21449e-10 1.24218e-10 3.87733e-10 ] [ 2.20243e-10 2.94328e-10 2.28142e-11 ] [ 4.00805e-10 4.02926e-10 1.38377e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8505417 0.19668999999999998 -1.2017442 ] [ 0.9825606 -0.3712065 -0.2595769 ] [ -0.3533485 1.6061072 1.4975665 ] [ 0.925655 0.9097683 -1.6662562 ] [ -0.9416899 1.1127514 2.1070922 ] [ -0.8225541 -1.1301303 1.8696974 ] [ 0.807687 -0.8507632 -1.3677992 ] [ 1.2522317 -1.473217 -0.9789795 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.964894647555487e-09 3.15132119545152e-10 -1.925406461421999e-09 ] [ 1.574235621839221e-09 -5.947383757889952e-10 -4.158880404797395e-10 ] [ -5.661267056947489e-10 2.57326740633855e-09 2.399366034393283e-09 ] [ 1.483062799926624e-09 1.457609500604961e-09 -2.669636727903049e-09 ] [ -1.50875354182349e-09 1.782824277842469e-09 3.375933860710038e-09 ] [ -1.317876948363185e-09 -1.81066834511769e-09 2.995585462250546e-09 ] [ 1.29405722832409e-09 -1.363072908876995e-09 -2.191455900188943e-09 ] [ 2.006296353564639e-09 -2.360353834765114e-09 -1.568498067142474e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 138.38049 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.217099858528482e-17 } }