{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39198e-10 0.0 0.0 ] "source-value" [ 5.39198 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] "source-value" [ 0.0815956 5.53401 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] "source-value" [ -0.109849 -0.0410552 5.55668 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 6.256989489616978e-09 -3.392749505433645e-09 1.501400993092977e-09 ] [ -1.672687132140111e-09 -1.214281650021216e-10 -1.282069742847264e-09 ] [ 2.342155351400095e-09 -4.392581096502076e-09 3.326380780875963e-09 ] [ -1.858397186651322e-09 5.984131441082283e-09 2.408270130963379e-09 ] [ 1.733231624245861e-09 -1.485702065474068e-09 2.053379998573076e-09 ] [ -2.707582358554752e-09 2.204749159611721e-09 -2.609535077415289e-09 ] [ 1.365063132675352e-09 -3.020701503393531e-09 -4.749524898884923e-09 ] [ -5.458772760374438e-09 4.224281735111437e-09 -6.483023445755808e-10 ] ] "source-value" [ [ 3.905305700000001 -2.1175877000000005 0.9371008000000002 ] [ -1.0440092000000003 -0.07578950000000001 -0.8002050000000003 ] [ 1.4618584000000001 -2.7416335000000003 2.0761636000000006 ] [ -1.1599203000000002 3.7350011000000007 1.5031240000000003 ] [ 1.0817981000000003 -0.9273023000000002 1.2816190000000003 ] [ -1.6899400000000004 1.3760962000000003 -1.6287437000000005 ] [ 0.8520054000000002 -1.8853736000000005 -2.9644203000000005 ] [ -3.407098000000001 2.6365893000000002 -0.4046385000000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.638027485062784e-18 "source-value" -35.1898 } }