{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.8320858 -4.4743295 -1.5975686 ] [ 1.4532442 -0.005056 5.1099138 ] [ -0.1432435 -1.3885173 -0.6809921 ] [ -3.4587097 -7.4000482 3.7429655 ] [ 1.6788715 5.20057 -6.089345 ] [ 2.106326 4.1033702 1.8121397 ] [ 2.777174 4.4173539 -1.5114555 ] [ -1.5815767 -0.453343 -0.7856579 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.537501656859665e-09 -7.168666118655753e-09 -2.559587061044187e-09 ] [ 2.3283538815532e-09 -8.1006049947648e-12 8.186984424663287e-09 ] [ -2.295013867815648e-10 -2.22464995563634e-09 -1.091069621569496e-09 ] [ -5.541463819474182e-09 -1.185618421883312e-08 5.996891816560982e-09 ] [ 2.689848666627428e-09 8.332231668833855e-09 -9.756206194985376e-09 ] [ 3.374706272983181e-09 6.57432380092742e-09 2.903367860963526e-09 ] [ 4.449523254693619e-09 7.077381144379702e-09 -2.421618665479575e-09 ] [ -2.533965212742016e-09 -7.263355558033344e-10 -1.258762719326824e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 629.73861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.008952478157089e-16 } }