{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6957462 -0.1894911 -0.4058537 ] [ 0.0260098 -0.4894566 1.0065893 ] [ 1.0414068 0.3797116 1.280323 ] [ -0.1980786 -2.070111 1.4014 ] [ 0.6055558 1.459644 0.051569 ] [ -0.5704086 -0.5536156 -0.2100121 ] [ 0.2361203 1.8372659 -1.2549682 ] [ -0.4448593 -0.3739473 -1.8690473 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.11470830483429e-09 -3.035982127709573e-10 -6.502493149624457e-10 ] [ 4.167229381501319e-11 -7.841959278770843e-10 1.612733856494416e-09 ] [ 1.668517641448711e-09 6.083650531787543e-10 2.051303594572782e-09 ] [ -3.173569046154324e-10 -3.316683473986373e-09 2.2452903348876e-09 ] [ 9.70207353343177e-10 2.338607510758296e-09 8.262264683874598e-11 ] [ -9.138953307526524e-10 -8.869899785378902e-10 -3.364764794772714e-10 ] [ 3.783064274730702e-10 2.94362449542498e-09 -2.010680726453038e-09 ] [ -7.127431758775962e-10 -5.991296264073881e-10 -2.994543911900788e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.5419426015624822 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.682877731925808e-20 } }