{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1313922999999997 -0.08923079999999999 0.6798858999999999 ] [ 0.8239050999999998 0.3895663999999999 -1.7655507999999998 ] [ -2.3908004999999997 -0.4424315999999999 -0.7919415999999999 ] [ 0.7995665999999999 1.9399658999999998 0.23249959999999997 ] [ -0.09891899999999999 0.20208759999999998 1.9934709999999998 ] [ -0.4300726999999999 -0.17025669999999998 -0.44589409999999996 ] [ 2.0721169999999995 -1.4556678999999997 1.5642446999999997 ] [ 0.35559589999999996 -0.37403289999999995 -1.4667145999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.81269029201314e-09 -1.429635016152806e-10 1.089297293791567e-09 ] [ 1.320041488977886e-09 6.241541783292211e-10 -2.828724214594736e-09 ] [ -3.83048466609695e-09 -7.088535658231372e-10 -1.268830316558945e-09 ] [ 1.281046913292545e-09 3.10816801012923e-09 3.725054234653516e-10 ] [ -1.584857091529152e-10 3.23780028073582e-10 3.193892630442796e-09 ] [ -6.890524251843321e-10 -2.727813042745593e-10 -7.144011023726572e-10 ] [ 3.319897412962233e-09 -2.332237077029032e-09 2.50619628755031e-09 ] [ 5.697274374323346e-10 -5.992667677900243e-10 -2.349935841506023e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.824185 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.899884828701405e-18 } }