{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.355954 -0.7428543 0.1864439 ] [ 0.1364604 -0.1968263 -0.3187359 ] [ -0.411076 -0.1712797 0.9491227 ] [ -0.589851 -1.0050453 0.6571486 ] [ 0.8250895 1.2776612 0.227048 ] [ -0.3490624 0.5252644 0.1199011 ] [ 0.2820072 -0.5868425 -0.7839401 ] [ 0.4623863 0.8999224 -1.0369883 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.703011768802432e-10 -1.190183792120749e-09 2.987160576707731e-10 ] [ 2.186336625450163e-10 -3.153504962185671e-10 -5.106712071896467e-10 ] [ -6.586163565719808e-10 -2.744203309576377e-10 1.520662200210572e-09 ] [ -9.450454819555008e-10 -1.610260082504922e-09 1.052868123311451e-09 ] [ 1.321939106967562e-09 2.047038903943273e-09 3.637709973993984e-10 ] [ -5.59259616480338e-10 8.415663414185394e-10 1.921027392282029e-10 ] [ 4.518253427372698e-10 -9.40225333591824e-10 -1.256010500327614e-09 ] [ 7.408245196382151e-10 1.441834629814226e-09 -1.661438410303137e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 633.68904 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.015281764745196e-16 } }