{ "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" [ [ -5.2509669 -3.067404 -3.231845 ] [ 1.7148854 0.475493 7.3445052 ] [ -4.1976677 -8.4439705 -8.2083949 ] [ -0.5076234 1.2332576 13.4083654 ] [ 2.9991854 2.6555043 -9.2345299 ] [ 3.694301 -0.1178289 6.1770194 ] [ 1.1710576 1.9751446 -3.5448266 ] [ 0.3768286 5.2898039 -2.7102936 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.412976473087414e-09 -4.914523015838135e-09 -5.17798654370973e-09 ] [ 2.747549317867743e-09 7.618237742305619e-10 1.17671946197315e-08 ] [ -6.725405106236522e-09 -1.35287322332853e-08 -1.315129851142477e-08 ] [ -8.133023503516355e-10 1.975896510422918e-09 2.148256974401406e-08 ] [ 4.805224768913943e-09 4.254586940946526e-09 -1.479534803175436e-08 ] [ 5.918922741162833e-09 -1.887827103899226e-10 9.896676150444698e-09 ] [ 1.876241123788118e-09 3.164530526891276e-09 -5.679438350101664e-09 ] [ 6.037459779429323e-10 8.475200207022071e-09 -4.342369077199742e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.50271 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.925766943167814e-18 } }