{ "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" [ [ -0.1758089 0.6100902 -3.3347445 ] [ 0.8972588 1.7688139 0.0809002 ] [ -0.3074026 0.9114451 -1.2005069 ] [ 0.5738391 0.2712362 1.2449912 ] [ 0.3716852 0.9678919 -0.3189323 ] [ 0.8890408 -2.4305776 0.5827735 ] [ -2.5144125 0.475846 -0.1943548 ] [ 0.2658001 -2.5747457 3.1398737 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.816769093085651e-10 9.774722550191963e-10 -5.342849674241386e-09 ] [ 1.437567072167063e-09 2.833952277126069e-09 1.296164090580442e-10 ] [ -4.925132588931341e-10 1.460296030362718e-09 -1.923424088289083e-09 ] [ 9.193915901209135e-10 4.34568298354633e-10 1.994695793741737e-09 ] [ 5.955053377373722e-10 1.550733773641692e-09 -5.109858746779718e-10 ] [ 1.424400384697329e-09 -3.894214605760175e-09 9.33706076921789e-10 ] [ -4.02853292254728e-09 7.623893363011968e-10 -3.113907167002599e-10 ] [ 4.25858706026302e-10 -4.12519736504533e-09 5.030632234404793e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -219.74917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.520769826142048e-17 } }