{ "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" [ [ 5.9705392 8.0878368 -10.3128023 ] [ 0.7106005 1.2728972 0.8047132 ] [ 1.2251967 3.8618227 -3.6989482 ] [ -2.0798502 -2.5710224 2.9656494 ] [ 2.7902644 1.9082388 0.4059705 ] [ -0.1416337 -6.3602716 0.1477468 ] [ -2.5022811 2.4213669 1.7833695 ] [ -5.9728357 -8.6208684 7.9043011 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.565858398621052e-09 1.295814314056533e-08 -1.652293087612146e-08 ] [ 1.138507517208717e-09 2.039406151324025e-09 1.289292686111369e-09 ] [ 1.962981524793907e-09 6.187322094590791e-09 -5.926368376416358e-09 ] [ -3.332287392660227e-09 -4.119232014770601e-09 4.751494173316119e-09 ] [ 4.470496424362029e-09 3.057335617452199e-09 6.50436449193297e-10 ] [ -2.269222047269658e-10 -1.019027854341379e-08 2.367164707082712e-10 ] [ -4.009096310119817e-09 3.879457469521015e-09 2.857272942688263e-09 ] [ -9.569537797261034e-09 -1.381215391526897e-08 1.26640865305205e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -34.618495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.546494379324583e-18 } }