{ "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" [ 5.42802 0 0 ] "si-unit" "m" "si-value" [ 5.42802e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] "si-unit" "m" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] "si-unit" "m" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.06296e-12 -6.385200000000001e-12 -4.907190000000001e-12 ] [ 1.36252e-10 1.37203e-10 1.3263e-10 ] [ 3.67903e-12 2.58342e-10 2.70389e-10 ] [ 1.37777e-10 4.04701e-10 4.07282e-10 ] [ 2.72906e-10 4.01884e-14 2.69217e-10 ] [ 4.00266e-10 1.36136e-10 4.06132e-10 ] [ 2.83534e-10 2.75342e-10 3.818810000000001e-12 ] [ 4.01886e-10 4.16847e-10 1.28111e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0995240999999998 2.3224145999999997 -0.9997619999999998 ] [ 0.5750083999999999 -0.8650118999999997 -0.7587457999999998 ] [ -0.9910726999999998 2.0932418999999998 0.12085459999999998 ] [ -0.22365069999999995 -1.1863353999999997 0.30720229999999993 ] [ -0.5473886999999998 0.11614079999999997 -0.11990139999999998 ] [ 1.2199478999999998 -1.2936535999999998 0.4207460999999999 ] [ -2.2408550999999997 0.06552409999999999 -1.1981826999999998 ] [ 1.1084867999999999 -1.2523204999999997 2.2277888999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.761631821539879e-09 3.720918406580455e-09 -1.601795315961108e-09 ] [ 9.212650228337253e-10 -1.385901854311944e-09 -1.215644791905637e-09 ] [ -1.587873522535291e-09 3.353743261489764e-09 1.936304162314164e-10 ] [ -3.583279257177436e-10 -1.900718857967043e-09 4.921923469710581e-10 ] [ -8.770133848556354e-10 1.860780760140672e-10 -1.921032214638875e-10 ] [ 1.954572020077368e-09 -2.072661570409982e-09 6.741095702666272e-10 ] [ -3.590245681399732e-09 1.049811819838794e-10 -1.919700325203031e-09 ] [ 1.775991650057431e-09 -2.006438643379196e-09 3.569311321064562e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.220644 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.803186948523229e-18 } }