{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7634061 -0.0195208 0.1654647 ] [ -0.4865887 0.7516487 -1.8071632 ] [ -1.0492363 0.4787935 0.0951502 ] [ 1.8622828 0.5859076 0.1916853 ] [ 0.4130705 -2.0257237 1.4570403 ] [ -0.0765576 0.5026161 1.1010754 ] [ -0.396255 -0.2878059 -1.1055116 ] [ 0.4966903 0.0140846 -0.0977411 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.223111405596107e-09 -3.127576937931265e-11 2.651036739076857e-10 ] [ -7.79601039085465e-10 1.204273974194713e-09 -2.895394629010114e-09 ] [ -1.681061869554695e-09 7.671117518910048e-10 1.524474259044442e-10 ] [ 2.983705963477962e-09 9.38727458669038e-10 3.071137062110342e-10 ] [ 6.618118978421664e-10 -3.245567152340473e-09 2.334435904223418e-09 ] [ -1.226587968645581e-10 8.052797646576748e-10 1.764117263618008e-09 ] [ -6.348704968751041e-10 -4.611158843083027e-10 -1.771224839543201e-09 ] [ 7.957855864381382e-10 2.256601683331968e-11 -1.565985053112749e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.450332240654234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.795851434116869e-18 } }