{ "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" [ 5.11534 0 0 ] "si-unit" "m" "si-value" [ 5.11534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.215947 5.44617 0 ] "si-unit" "m" "si-value" [ -2.15947e-11 5.446170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.311017 -0.240161 5.43903 ] "si-unit" "m" "si-value" [ 3.11017e-11 -2.40161e-11 5.43903e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.11262 0.0410701 -0.0158461 ] [ 1.41877 1.4243 1.25044 ] [ 0.19719 2.45185 3.01922 ] [ 1.59796 4.1675 4.07229 ] [ 3.2205 -0.170535 2.05026 ] [ 3.94627 1.40202 3.6633 ] [ 2.60901 3.00439 -0.668036 ] [ 3.72698 4.31381 0.563179 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1262e-11 4.10701e-12 -1.58461e-12 ] [ 1.41877e-10 1.4243e-10 1.25044e-10 ] [ 1.9719e-11 2.45185e-10 3.01922e-10 ] [ 1.59796e-10 4.1675e-10 4.07229e-10 ] [ 3.2205e-10 -1.70535e-11 2.05026e-10 ] [ 3.94627e-10 1.40202e-10 3.6633e-10 ] [ 2.60901e-10 3.00439e-10 -6.68036e-11 ] [ 3.726980000000001e-10 4.31381e-10 5.63179e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 8.402364500000001 10.948920700000002 -9.213451200000002 ] [ 2.3998459000000003 0.6266351000000001 -0.7114329000000001 ] [ 11.807811400000002 7.525126800000002 -7.351162600000002 ] [ -2.0821144000000005 1.8051629000000005 -6.532750100000002 ] [ -10.702901000000002 5.319553800000001 11.470623800000002 ] [ -2.7053478000000006 -12.140989800000003 3.327501600000001 ] [ -5.995484500000001 -2.6683598000000006 7.7508579000000015 ] [ -1.1241741000000003 -11.416049700000002 1.2598134000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.346207196133988e-08 1.754210476853317e-08 -1.476157610952171e-08 ] [ 3.844976994502735e-09 1.00398010699267e-09 -1.139841159647945e-09 ] [ 1.891819936789572e-08 1.205658222751552e-08 -1.177786085341935e-08 ] [ -3.33591501351102e-09 2.892189795115529e-09 -1.046661947974887e-08 ] [ -1.714793775693694e-08 8.522864731447802e-09 1.837796527835206e-08 ] [ -4.334444996292715e-09 -1.945201001093128e-08 5.331245269194596e-09 ] [ -9.605825096268779e-09 -4.275183687442565e-09 1.241824331852299e-08 ] [ -1.801125460728882e-09 -1.829052793123086e-08 2.018443576050559e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.13941 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.226689185870573e-18 } }