{ "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" [ [ 2.1376466000000005 -1.5176036000000004 0.40168920000000014 ] [ -0.7576051000000003 -0.26163840000000005 -0.5715100000000001 ] [ 0.5368234000000001 -1.7284007000000003 1.4276989000000002 ] [ -0.4301402000000001 1.8320919000000004 1.1038746000000002 ] [ 0.7372367000000001 -0.6788179000000001 0.7303370000000001 ] [ -1.2013480000000003 1.1724661000000003 -0.9657184000000002 ] [ 0.4129317000000001 -0.7766929000000002 -1.5124580000000005 ] [ -1.4355450000000003 1.9585955000000004 -0.6139133000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.42488740605261e-09 -2.431469007561916e-09 6.435770450678555e-10 ] [ -1.213817179018847e-09 -4.191909275835188e-10 -9.156599605534082e-10 ] [ 8.600859009783669e-10 -2.769203192914355e-09 2.287425799121878e-09 ] [ -6.891605721062363e-10 2.935334809337053e-09 1.768602076414952e-09 ] [ 1.181183404735743e-09 -1.087586169160553e-09 1.17012886670521e-09 ] [ -1.924771679044839e-09 1.878497774100555e-09 -1.547251442756383e-09 ] [ 6.615895157271995e-10 -1.244399205921353e-09 -2.423224847541927e-09 ] [ -2.299996637106337e-09 3.138015919704087e-09 -9.835975364581768e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.17540403877592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.751803080372068e-18 } }