{ "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" [ 5.48581 0 0 ] "si-unit" "m" "si-value" [ 5.48581e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00228581 5.44331 0 ] "si-unit" "m" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0206328 -0.0957916 5.42731 ] "si-unit" "m" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6027257 0.8319614 -0.3385411 ] [ -0.6698018 1.3102991 -1.4794236 ] [ 0.2756326 -0.0939003 1.1348568 ] [ 0.0025118 -0.6493194 -0.6841592 ] [ 0.918448 0.7078072 3.7565263 ] [ -1.6319566 0.5285283 -0.8944415 ] [ -0.5806746 -1.0834903 -1.2985757 ] [ 1.083115 -1.551886 -0.1962421 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.656730332512937e-10 1.332949115469927e-09 -5.424026400686573e-10 ] [ -1.073140793371141e-09 2.099330601571229e-09 -2.370297923708162e-09 ] [ 4.416121112886684e-10 -1.504448665855902e-10 1.818241047896011e-09 ] [ 4.0243472692812e-12 -1.040324370682899e-09 -1.096143884176133e-09 ] [ 1.471515925144032e-09 1.134032157216965e-09 6.018618662866474e-09 ] [ -2.614682732222084e-09 8.467956926677421e-10 -1.433053271779911e-09 ] [ -9.303432760772964e-10 -1.73594284182565e-09 -2.080547644020194e-09 ] [ 1.73534154493491e-09 -2.486395487831724e-09 -3.144145072270914e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.254348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.808586924650463e-18 } }