{ "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" [ 5.31945 0 0 ] "si-unit" "m" "si-value" [ 5.31945e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00383334 5.41695 0 ] "si-unit" "m" "si-value" [ -3.83334e-13 5.416950000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0189848 -0.118491 5.47074 ] "si-unit" "m" "si-value" [ 1.89848e-12 -1.18491e-11 5.47074e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0147515 -0.0960157 0.0381768 ] [ 1.54242 1.27348 1.38773 ] [ -0.0738039 2.51333 2.6891 ] [ 1.45374 4.04036 4.07661 ] [ 2.81495 -0.0309523 2.80877 ] [ 4.27456 1.30079 3.98727 ] [ 2.73206 2.74248 -0.103972 ] [ 3.9224 4.04214 1.39211 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.47515e-12 -9.60157e-12 3.81768e-12 ] [ 1.54242e-10 1.27348e-10 1.38773e-10 ] [ -7.38039e-12 2.51333e-10 2.6891e-10 ] [ 1.45374e-10 4.04036e-10 4.07661e-10 ] [ 2.81495e-10 -3.09523e-12 2.80877e-10 ] [ 4.27456e-10 1.30079e-10 3.98727e-10 ] [ 2.73206e-10 2.74248e-10 -1.03972e-11 ] [ 3.9224e-10 4.04214e-10 1.39211e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.4994976 3.0458109 -0.2975345 ] [ -3.1601643 0.748864 -1.1298154 ] [ 14.7501032 16.2602524 -14.752701 ] [ -3.3435985 -2.6025215 -1.402029 ] [ -0.2666512 1.9735807 0.6718523 ] [ -14.6452835 -13.5004052 17.0932276 ] [ 1.4455171 -2.8447052 -0.3709512 ] [ 2.7205797 -3.0808761 0.1879512 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.004636651459078e-09 4.87992705556251e-09 -4.767028237088729e-10 ] [ -5.063141401060966e-09 1.199812402843776e-09 -1.810163834613363e-09 ] [ 2.363227069612863e-08 2.605179645822242e-08 -2.363643283058843e-08 ] [ -5.357035390177448e-09 -4.16969913678263e-09 -2.246298103990386e-09 ] [ -4.272223220680608e-10 3.162024882853364e-09 1.076426056559158e-09 ] [ -2.346433102200573e-08 -2.163003376097209e-08 2.73863698603639e-08 ] [ 2.315973721667441e-09 -4.557720202058296e-09 -5.943293449942607e-10 ] [ 4.358849226274729e-09 -4.936107699669047e-09 3.011310209722608e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -32.540963 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.213637056645854e-18 } }