{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.11534e-10 0.0 0.0 ] "source-value" [ 5.11534 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.15947e-11 5.446170000000001e-10 0.0 ] "source-value" [ -0.215947 5.44617 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.11017e-11 -2.40161e-11 5.43903e-10 ] "source-value" [ 0.311017 -0.240161 5.43903 ] } "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" [ [ 2.357338378147106e-08 1.872203687332807e-08 -9.944994671655792e-09 ] [ 4.446743157821207e-09 1.752767925089247e-09 -1.347438709193566e-09 ] [ 3.189502554349442e-08 2.267724522151847e-08 -1.313956646476814e-08 ] [ -6.814654139271309e-09 6.343864312526617e-09 -1.45853882713209e-08 ] [ -1.984544514824712e-08 1.57181292250561e-08 3.001364865800628e-08 ] [ -2.129812138681897e-08 -2.829552315602963e-08 2.48314112619466e-09 ] [ -6.057773246410086e-09 -8.41665051520147e-09 1.347484243053129e-08 ] [ -5.899158562039196e-09 -2.85018698862874e-08 -6.954244097793834e-09 ] ] "source-value" [ [ 14.713349000000003 11.685376400000003 -6.207177500000002 ] [ 2.7754388000000003 1.0939917000000001 -0.8410051000000002 ] [ 19.907309300000005 14.154023300000004 -8.201072400000001 ] [ -4.2533726000000005 3.959528700000001 -9.103483400000002 ] [ -12.386552700000003 9.810484700000002 18.733046200000004 ] [ -13.293241900000003 -17.660676600000002 1.5498548000000005 ] [ -3.780964700000001 -5.253260100000001 8.410335200000002 ] [ -3.681965200000001 -17.789468100000004 -4.3404978000000005 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.070324918781259e-18 "source-value" -19.163461 } }