{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0452356 -1.0870884 -2.6508848 ] [ -0.1888809 -0.0143001 0.876351 ] [ -0.0454296 -0.575883 -1.4138142 ] [ -0.7742518 -0.7877618 6.141785 ] [ 1.3374673 0.2472671 -2.820561 ] [ -1.2481658 1.0483692 3.2877064 ] [ 0.1427709 0.0472145 -4.4944331 ] [ -0.2687459 1.1221825 1.0738507 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.674652041547861e-09 -1.741707619222879e-09 -4.247185650994084e-09 ] [ -3.026205620956628e-10 -2.291128589510208e-11 1.404069083814701e-09 ] [ -7.278624301229569e-11 -9.226662789161665e-10 -2.265180057395055e-09 ] [ -1.240488132572318e-09 -1.262133538719325e-09 9.840224336980128e-09 ] [ 2.1428588391445e-09 3.961655667130157e-10 -4.519036891740269e-09 ] [ -1.999782063642129e-09 1.679672622206799e-09 5.267486330134533e-09 ] [ 2.287441981105747e-10 7.56459680627616e-11 -7.200875636569668e-09 ] [ -4.305783979158547e-10 1.797934565770896e-09 1.720498485769714e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.30433 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.656377213900807e-18 } }