{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.30466 -2.3566588 -4.2892556 ] [ 1.0503794 0.7559471 6.3678739 ] [ -4.8037306 -8.1379974 -7.8726081 ] [ 1.5015209 -0.4903037 14.5780593 ] [ 3.2930341 2.1602594 -8.0399673 ] [ 4.7481563 -1.9283128 8.0144546 ] [ -0.415232 4.3695485 -4.761412 ] [ 0.9305318 5.6275178 -3.9971449 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.010117893731444e-08 -3.775783663670479e-09 -6.872145099573649e-09 ] [ 1.682893331514939e-09 1.211160780160061e-09 1.020245877083845e-08 ] [ -7.696424923350799e-09 -1.303850928183275e-08 -1.261330874645913e-08 ] [ 2.405701701442651e-09 -7.855531317037458e-10 2.335662597952639e-08 ] [ 5.276022289985219e-09 3.461117134058859e-09 -1.288144774618407e-08 ] [ 7.607385078439893e-09 -3.089497711203115e-09 1.284057189437382e-08 ] [ -6.652750080890879e-10 7.000788507829748e-09 -7.628623051247206e-09 ] [ 1.490876307153961e-09 9.016277526579083e-09 -6.404132161492266e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.563153 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.9354509793967e-18 } }