{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46497e-10 0.0 0.0 ] "source-value" [ 5.46497 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] "source-value" [ 0.00264453 5.45437 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] "source-value" [ -0.00434361 0.134648 5.52148 ] } "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" [ [ 5.608238215152249e-10 -4.054657213437735e-10 -2.478231736593205e-09 ] [ -3.283883686879892e-10 1.468925193424685e-10 1.990608641182076e-09 ] [ 1.817012483883072e-10 -7.445609557355827e-10 -2.266939407542356e-09 ] [ -1.881182221028705e-09 -1.308066340261041e-09 5.29537782183773e-09 ] [ 2.019910528964563e-09 8.643254205346657e-10 -4.036129803212466e-09 ] [ -1.093062729285771e-09 5.239434780986919e-10 2.857716882289409e-09 ] [ 5.664814275985939e-10 -2.084257146409133e-10 -3.352787375287002e-09 ] [ -2.628386768188608e-11 1.131357314005484e-09 1.99038481710815e-09 ] ] "source-value" [ [ 0.3500387 -0.2530718 -1.5467906 ] [ -0.2049639 0.0916831 1.2424402 ] [ 0.113409 -0.4647184 -1.4149123 ] [ -1.1741416 -0.8164308 3.3051149 ] [ 1.260729 0.5394695 -2.5191541 ] [ -0.6822361 0.3270198 1.7836466 ] [ 0.3535699 -0.1300891 -2.0926453 ] [ -0.0164051 0.7061377 1.2423005 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.848816250001716e-18 "source-value" -36.50544 } }