{ "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" [ 5.4207 0 0 ] "si-unit" "m" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.121917 5.37017 0 ] "si-unit" "m" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0328689 -0.300504 5.4102 ] "si-unit" "m" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0512752 -0.33658 -0.135216 ] [ 1.26577 1.35967 1.6251 ] [ 0.0338464 2.52642 2.69707 ] [ 1.45988 3.83229 4.06608 ] [ 2.77794 -0.093605 2.9072 ] [ 4.03914 1.38604 3.72159 ] [ 2.13334 2.58123 0.377362 ] [ 4.24352 4.40881 1.44889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.12752e-12 -3.3658e-11 -1.35216e-11 ] [ 1.26577e-10 1.35967e-10 1.6251e-10 ] [ 3.38464e-12 2.52642e-10 2.69707e-10 ] [ 1.45988e-10 3.83229e-10 4.06608e-10 ] [ 2.77794e-10 -9.3605e-12 2.9072e-10 ] [ 4.03914e-10 1.38604e-10 3.72159e-10 ] [ 2.13334e-10 2.58123e-10 3.77362e-11 ] [ 4.243520000000001e-10 4.40881e-10 1.44889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8523771999999998 4.060119399999999 -1.7981530999999997 ] [ 0.5607007999999999 -7.758745299999999 -0.014740899999999998 ] [ -1.5948177999999997 5.901138199999999 0.7607685999999999 ] [ 0.04253239999999999 -2.1660397999999996 0.27977729999999995 ] [ -1.2332128999999998 -0.28793889999999994 -2.4240339999999994 ] [ -0.5183196999999999 -0.5951588999999999 4.351033799999999 ] [ 4.204915499999999 4.062891699999999 -4.293645799999999 ] [ -2.3141755999999996 -3.2162663999999994 3.1389940999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.365658821942966e-09 6.505028380336522e-09 -2.880958857439044e-09 ] [ 8.983417130238564e-10 -1.243088032640188e-08 -2.361752534955072e-11 ] [ -2.55517979359569e-09 9.454665660149793e-09 1.218885664758747e-09 ] [ 6.81444169065139e-11 -3.470378327282307e-09 4.482526490905477e-10 ] [ -1.975824876848968e-09 -4.61328973798869e-10 -3.883730602824306e-09 ] [ -8.304397054400696e-10 -9.53549675241045e-10 6.971124630670581e-09 ] [ 6.737017306539542e-09 6.509470094582366e-09 -6.879178918756111e-09 ] [ -3.707718042745812e-09 -5.15302683234458e-09 5.029222959849137e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.365662 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.865115373151497e-18 } }