{ "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" [ 5.37283 0 0 ] "si-unit" "m" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.256601 5.36059 0 ] "si-unit" "m" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0433697 -0.246629 5.47376 ] "si-unit" "m" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00270324 -0.00280673 0.144383 ] [ 1.34461 1.35881 1.37149 ] [ -0.0221547 2.59799 2.84643 ] [ 1.34697 4.04373 4.10747 ] [ 2.75027 0.00909757 2.6523 ] [ 4.11164 1.31842 4.20835 ] [ 2.66226 2.78619 -0.017694 ] [ 3.99298 4.09333 1.38778 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70324e-13 -2.80673e-13 1.44383e-11 ] [ 1.34461e-10 1.35881e-10 1.37149e-10 ] [ -2.21547e-12 2.59799e-10 2.84643e-10 ] [ 1.34697e-10 4.04373e-10 4.10747e-10 ] [ 2.75027e-10 9.09757e-13 2.6523e-10 ] [ 4.11164e-10 1.31842e-10 4.20835e-10 ] [ 2.66226e-10 2.78619e-10 -1.7694e-12 ] [ 3.99298e-10 4.09333e-10 1.38778e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.5640478 5.4379834 -7.2709799 ] [ 0.8206845 1.3105475 0.5277009 ] [ 0.8008363 2.1272488 -2.3849409 ] [ -1.241724 -1.436711 1.9186971 ] [ 1.4737629 0.7595732 0.4334758 ] [ 0.1363869 -3.5880908 -0.1516151 ] [ -2.0810748 1.1446061 1.2750321 ] [ -4.4729197 -5.7551572 5.6526298 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.312410681373674e-09 8.712609867778494e-09 -1.164939400608672e-08 ] [ 1.314881518952938e-09 2.099728564947888e-09 8.454700447551188e-10 ] [ 1.283081196947975e-09 3.408228293984855e-09 -3.821096551969711e-09 ] [ -1.989461162286259e-09 -2.301864775046189e-09 3.07409163601676e-09 ] [ 2.361228462982409e-09 1.216970422826242e-09 6.945047924425767e-10 ] [ 2.185159025633876e-10 -5.748755193067568e-09 -2.429141685802541e-10 ] [ -3.334249390696036e-09 1.833861133445067e-09 2.042826621389528e-09 ] [ -7.16640737005575e-09 -9.220778314868789e-09 9.056511311597381e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.302646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.656107407357864e-18 } }