{ "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" [ [ 0.1504796 0.5630944 5.4014945 ] [ -2.5894897 2.58703 -4.952812 ] [ -0.614912 -0.171435 1.7213133 ] [ -4.3153446 2.1416647 -6.8502301 ] [ 0.7609163 -2.5973414 2.3356419 ] [ 0.5874569 1.0131089 -3.0844599 ] [ 2.2246431 -6.0810132 4.1998336 ] [ 3.7962504 2.5448915 1.2292188 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.410948970273357e-10 9.021766829834036e-10 8.654148205279787e-09 ] [ -4.148819857142406e-09 4.144878983308224e-09 -7.935279593617689e-09 ] [ -9.851976302493696e-10 -2.74669148986848e-10 2.757847926332097e-09 ] [ -6.913944228815528e-09 3.431325111932646e-09 -1.097527851332045e-08 ] [ 1.219122306245639e-09 -4.161399667315941e-09 3.742110846740892e-09 ] [ 9.412097109076434e-10 1.623179393904405e-09 -4.941849539575106e-09 ] [ 3.564271164444037e-09 -9.742857179816195e-09 6.728875205170298e-09 ] [ 6.082263637582648e-09 4.077365663772643e-09 1.969425623207831e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.025564 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.650408004633413e-18 } }