{ "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" [ [ 3.3952297 -0.215242 18.8597666 ] [ -8.9447348 14.1752705 -19.1326562 ] [ -2.5706583 1.6111794 7.1309162 ] [ -30.7937347 20.8409145 -44.4541196 ] [ 6.8500693 -16.2619986 15.1286072 ] [ -6.8962095 6.9833989 -11.4606276 ] [ 29.8547003 -36.5913923 29.4830189 ] [ 9.105338 9.4578696 4.4450945 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.439757692402829e-09 -3.448557030554279e-10 3.021667736921362e-08 ] [ -1.433104509388666e-08 2.271128717572949e-08 -3.065389470999523e-08 ] [ -4.118648662258162e-09 2.581393987862139e-09 1.142498731465207e-08 ] [ -4.9337002209935e-08 3.339082624309179e-08 -7.122335170816141e-08 ] [ 1.097502097374074e-08 -2.605459417906071e-08 2.423870096080416e-08 ] [ -1.104894572406882e-08 1.11886385434813e-08 -1.83619497516955e-08 ] [ 4.783250323573278e-08 -5.862587374858752e-08 4.723700398136037e-08 ] [ 1.458835978827229e-08 1.515317768053892e-08 7.121826543821912e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.642208 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.865287362576787e-18 } }