{ "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" [ [ -14.4964993 -15.2227333 -23.248227 ] [ 5.6308858 5.3751369 35.9641019 ] [ -13.2969257 -31.3232991 -38.9966063 ] [ -7.5966813 4.6002742 61.1820926 ] [ 6.3338562 -2.2968865 -53.7592826 ] [ 15.4523481 17.5657348 36.6738994 ] [ 9.4491056 8.6919746 -22.4922976 ] [ -1.4760894 12.6097984 4.6763196 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.322595245325736e-08 -2.438950759887371e-08 -3.724776608132792e-08 ] [ 9.021673657482395e-09 8.611918745731195e-09 5.7620843726975e-08 ] [ -2.130402366057409e-08 -5.018545791781322e-08 -6.247945141915719e-08 ] [ -1.217122527480474e-08 7.370451833233042e-09 9.80245191829443e-08 ] [ 1.014795640675603e-08 -3.68001788125004e-09 -8.613186644232276e-08 ] [ 2.47573910662543e-08 2.814340985560066e-08 5.875806469634662e-08 ] [ 1.513913620451855e-08 1.392607860744149e-08 -3.603663365969428e-08 ] [ -2.36495594637508e-09 2.020312435593059e-08 7.492289996236226e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.6862291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.905990131590848e-19 } }