{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46441e-10 0.0 0.0 ] "source-value" [ 5.46441 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.39301e-11 5.60761e-10 0.0 ] "source-value" [ 0.239301 5.60761 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.67861e-11 -7.33416e-11 5.71653e-10 ] "source-value" [ 0.167861 -0.733416 5.71653 ] } "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" [ [ -7.165153186196988e-09 -5.098470956012058e-09 -9.542757816855918e-10 ] [ 1.155987431001147e-08 -6.18832628792065e-09 -2.447664449715609e-09 ] [ -6.153725200964867e-09 1.485359151611918e-08 3.06328847949803e-09 ] [ -1.429740759809779e-10 -2.558484923746739e-09 -3.403777126896948e-09 ] [ -1.361825742551831e-08 2.518632574742154e-08 1.665294320711117e-08 ] [ -1.007218570574527e-08 -5.787528508161577e-09 2.980199119290355e-09 ] [ 5.83760213517975e-09 1.041567651169624e-09 -4.80731861395042e-09 ] [ 1.975481930943286e-08 -2.144867423886932e-08 -1.108339483365099e-08 ] ] "source-value" [ [ -4.4721369 -3.1822153 -0.5956121 ] [ 7.2151061 -3.8624495 -1.527712 ] [ -3.8408532 9.2708827 1.9119543 ] [ -0.0892374 -1.5968807 -2.1244706 ] [ -8.4998478 15.7200682 10.3939497 ] [ -6.2865639 -3.6122912 1.860094 ] [ 3.6435447 0.6500953999999999 -3.0004923 ] [ 12.3299885 -13.3872096 -6.917711 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.27702e-13 -3.82766e-12 4.33443e-11 ] [ 1.09616e-10 1.45225e-10 1.46895e-10 ] [ 1.30178e-11 2.57242e-10 2.88603e-10 ] [ 1.56489e-10 3.87283e-10 4.500250000000001e-10 ] [ 2.74098e-10 -2.14768e-11 2.33093e-10 ] [ 4.21449e-10 1.24218e-10 3.87733e-10 ] [ 2.20243e-10 2.94328e-10 2.28142e-11 ] [ 4.00805e-10 4.02926e-10 1.38377e-10 ] ] "source-value" [ [ 0.00327702 -0.0382766 0.433443 ] [ 1.09616 1.45225 1.46895 ] [ 0.130178 2.57242 2.88603 ] [ 1.56489 3.87283 4.50025 ] [ 2.74098 -0.214768 2.33093 ] [ 4.21449 1.24218 3.87733 ] [ 2.20243 2.94328 0.228142 ] [ 4.00805 4.02926 1.38377 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.22891667185775e-18 "source-value" -26.394822 } }