{ "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" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2679804000000003 -1.5063367000000005 0.27653450000000007 ] [ -0.6916523000000001 -0.23499750000000005 -0.5885434000000002 ] [ 0.4268766000000001 -1.7553630000000005 1.4030494000000002 ] [ -0.4953169000000001 2.0277322000000004 0.9803751000000003 ] [ 0.6706194000000001 -0.6776859000000001 0.7121709000000002 ] [ -1.1019543000000003 1.1685049000000003 -0.9344200000000003 ] [ 0.26366790000000007 -0.8214610000000002 -1.4323808000000002 ] [ -1.3402207000000002 1.7996069000000003 -0.4167857000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.633705173312633e-09 -2.413417443793025e-09 4.430571107446177e-10 ] [ -1.108149144782548e-09 -3.765075004464481e-10 -9.42950475806143e-10 ] [ 6.839317084865935e-10 -2.812401559617351e-09 2.247932946507468e-09 ] [ -7.935851570671318e-10 3.248785124083351e-09 1.570734064834462e-09 ] [ 1.074450724134924e-09 -1.085772505225807e-09 1.141023565994095e-09 ] [ -1.76552541665003e-09 1.872151232070242e-09 -1.497105878007937e-09 ] [ 4.224425450354324e-10 -1.316125609098989e-09 -2.294927029842801e-09 ] [ -2.147270272252211e-09 2.883288101810364e-09 -6.677643044237627e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -41.231637 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.606036483871225e-18 } }