{ "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" [ 5.44445 0 0 ] "si-unit" "m" "si-value" [ 5.44445e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.167308 5.39053 0 ] "si-unit" "m" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00577721 0.0671422 5.23553 ] "si-unit" "m" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0663122 0.114884 -0.548352 ] [ 1.65266 1.49476 1.67932 ] [ 0.0154179 2.74054 2.60324 ] [ 1.52833 4.11061 4.06642 ] [ 2.73369 0.0515698 2.61947 ] [ 3.80738 1.47511 4.06717 ] [ 2.81179 3.14543 -0.204063 ] [ 4.02065 4.01269 1.26672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.63122e-12 1.14884e-11 -5.48352e-11 ] [ 1.65266e-10 1.49476e-10 1.67932e-10 ] [ 1.54179e-12 2.74054e-10 2.60324e-10 ] [ 1.52833e-10 4.11061e-10 4.06642e-10 ] [ 2.733690000000001e-10 5.15698e-12 2.61947e-10 ] [ 3.807380000000001e-10 1.47511e-10 4.06717e-10 ] [ 2.81179e-10 3.14543e-10 -2.04063e-11 ] [ 4.02065e-10 4.01269e-10 1.26672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0030899 0.0029863 3.7056864 ] [ -2.5595035 2.7345151 -3.8569656 ] [ -0.2676474 0.3303129 1.0911733 ] [ -5.5373481 2.7416368 -6.2822393 ] [ 1.327122 -2.5027427 1.8936848 ] [ 0.407343 0.9549583 -1.8207459 ] [ 3.6985859 -5.9204614 4.4691921 ] [ 2.934538 1.6587947 0.8002142 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.95056554060992e-12 4.78458004269504e-12 5.937164114096517e-09 ] [ -4.100776668555773e-09 4.381176162444575e-09 -6.179540111549845e-09 ] [ -4.288184068979059e-10 5.292196059286483e-10 1.748252350501184e-09 ] [ -8.871809667051302e-09 4.392586383684926e-09 -1.006525693273096e-08 ] [ 2.126283841349338e-09 -4.009835841817868e-09 3.034017513724324e-09 ] [ 6.526354312465343e-10 1.530011862098913e-09 -2.917156513397455e-09 ] [ 5.925787859000527e-09 -9.485624839428837e-09 7.160435096484056e-09 ] [ 4.701648176449191e-09 2.65768208704695e-09 1.282084482872175e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.008357240654234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.923950922519061e-18 } }