{ "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" [ 5.45189 0 0 ] "si-unit" "m" "si-value" [ 5.451889999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103872 5.48254 0 ] "si-unit" "m" "si-value" [ 1.03872e-11 5.482540000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0133572 0.0848103 5.46172 ] "si-unit" "m" "si-value" [ -1.33572e-12 8.481030000000001e-12 5.46172e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515087 0.139447 0.129479 ] [ 1.28089 1.29793 1.3896 ] [ -0.0267641 2.78569 2.67144 ] [ 1.28772 4.21003 3.97686 ] [ 2.71226 0.0930415 2.84614 ] [ 4.11731 1.46571 4.11351 ] [ 2.72029 2.73709 -0.0733662 ] [ 4.08924 4.18171 1.22387 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15087e-12 1.39447e-11 1.29479e-11 ] [ 1.28089e-10 1.29793e-10 1.3896e-10 ] [ -2.67641e-12 2.78569e-10 2.67144e-10 ] [ 1.28772e-10 4.21003e-10 3.97686e-10 ] [ 2.71226e-10 9.304150000000001e-12 2.84614e-10 ] [ 4.11731e-10 1.46571e-10 4.11351e-10 ] [ 2.72029e-10 2.73709e-10 -7.336620000000001e-12 ] [ 4.089240000000001e-10 4.18171e-10 1.22387e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3714184 -2.9923046 -3.3319016 ] [ 3.3041638 3.500036 1.1872178 ] [ -0.2704716 0.2374615 -0.2663709 ] [ 0.59587 0.0467067 1.5652408 ] [ 0.0824058 -0.6264231 -1.4702667 ] [ -0.0900745 0.0562497 0.0441222 ] [ -1.1616047 -0.2104362 0.8805596 ] [ -0.0888704 -0.01129 1.3913988 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.799431149917666e-09 -4.794200511930716e-09 -5.338294890307214e-09 ] [ 5.293854035268649e-09 5.607675897358824e-09 1.902132618628885e-09 ] [ -4.333432776805943e-10 3.804552667745909e-10 -4.267732319575506e-10 ] [ 9.5468899090158e-10 7.483238339124778e-11 2.507792236343467e-09 ] [ 1.320286472660772e-10 -1.003640453817845e-09 -2.355626952488287e-09 ] [ -1.44315259219233e-10 9.012195500950979e-11 7.06915578806748e-11 ] [ -1.86109590828458e-09 -3.371559625877507e-10 1.410812015964386e-09 ] [ -1.423860783342336e-10 -1.808857419786e-11 2.229266645935639e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.046436 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.775275749817642e-18 } }