{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43385e-10 0.0 0.0 ] "source-value" [ 5.43385 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.31251e-12 5.415630000000001e-10 0.0 ] "source-value" [ 0.0231251 5.41563 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.581680000000001e-12 8.29392e-12 5.41654e-10 ] "source-value" [ -0.0358168 0.0829392 5.41654 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 4.23050731280688e-10 -4.797133096519008e-10 -1.749640956978432e-11 ] [ 5.1023701732541e-10 4.122225808066733e-10 1.976348948821632e-10 ] [ 2.632344144441984e-10 -1.187256134781562e-10 -1.460928729910272e-10 ] [ -4.594284718912762e-10 2.003864730107251e-10 2.121986803652352e-11 ] [ -2.811803947737792e-11 3.882511346415878e-10 7.496616452255615e-11 ] [ -3.786633893073965e-10 2.180636081033357e-10 -3.652012604687866e-10 ] [ -2.083507327750599e-10 -2.805202980060096e-10 1.035054162335424e-10 ] [ -1.219615295991859e-10 -3.399647356439174e-10 1.314641993548128e-10 ] ] "source-value" [ [ 0.2640475 -0.2994135 -0.0109204 ] [ 0.3184649 0.2572891 0.123354 ] [ 0.164298 -0.0741027 -0.091184 ] [ -0.2867527 0.1250714 0.0132444 ] [ -0.0175499 0.2423273 0.0467902 ] [ -0.2363431 0.1361046 -0.2279407 ] [ -0.1300423 -0.175087 0.064603 ] [ -0.0761224 -0.2121893 0.0820535 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.33361e-11 7.45448e-12 1.00028e-11 ] [ 1.34132e-10 1.25343e-10 1.22744e-10 ] [ -6.90566e-12 2.71113e-10 2.67907e-10 ] [ 1.35774e-10 4.108290000000001e-10 3.9369e-10 ] [ 2.76453e-10 -1.5077e-12 2.69424e-10 ] [ 4.18319e-10 1.35081e-10 4.129380000000001e-10 ] [ 2.74151e-10 2.8117e-10 -1.50387e-11 ] [ 4.06649e-10 4.0541e-10 1.2862e-10 ] ] "source-value" [ [ -0.133361 0.0745448 0.100028 ] [ 1.34132 1.25343 1.22744 ] [ -0.0690566 2.71113 2.67907 ] [ 1.35774 4.10829 3.9369 ] [ 2.76453 -0.015077 2.69424 ] [ 4.18319 1.35081 4.12938 ] [ 2.74151 2.8117 -0.150387 ] [ 4.06649 4.0541 1.2862 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 4.942201377561034e-18 "source-value" 30.846795 } }