{ "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" [ 5.40034 0 0 ] "si-unit" "m" "si-value" [ 5.40034e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00680429 5.47714 0 ] "si-unit" "m" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0750519 0.000428382 5.30288 ] "si-unit" "m" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0542923 -0.0551564 0.0107349 ] [ 1.38568 1.34449 1.49834 ] [ -0.0627007 2.68919 2.77312 ] [ 1.41517 4.13638 3.9375 ] [ 2.74489 -0.0643812 2.6522 ] [ 4.02561 1.44985 4.00224 ] [ 2.7219 2.73875 0.136559 ] [ 4.01026 4.10579 1.40939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.429230000000001e-12 -5.51564e-12 1.07349e-12 ] [ 1.38568e-10 1.34449e-10 1.49834e-10 ] [ -6.27007e-12 2.68919e-10 2.77312e-10 ] [ 1.41517e-10 4.13638e-10 3.9375e-10 ] [ 2.74489e-10 -6.43812e-12 2.6522e-10 ] [ 4.025610000000001e-10 1.44985e-10 4.00224e-10 ] [ 2.7219e-10 2.73875e-10 1.36559e-11 ] [ 4.01026e-10 4.10579e-10 1.40939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3989989 0.9496999 0.2604336 ] [ -0.9260964 0.0214329 -1.1840656 ] [ 1.2807757 1.1438412 -1.0358589 ] [ -0.539604 -1.090439 1.2545131 ] [ 0.0967158 1.2989497 0.8543905 ] [ -0.3521158 -1.9005662 0.9083708 ] [ -1.1971814 0.1314268 -0.6378535 ] [ 1.2385073 -0.5543454 -0.4199299 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.392667093049172e-10 1.521586976556098e-09 4.172606251907789e-10 ] [ -1.483770000687045e-09 3.433929129594432e-11 -1.897082221813525e-09 ] [ 2.052028883028754e-09 1.832635628547817e-09 -1.659628912027605e-09 ] [ -8.645409132901631e-10 -1.747075872208531e-09 2.009951559307333e-09 ] [ 1.549557936219687e-10 2.081146840935174e-09 1.368884484133623e-09 ] [ -5.641517025742886e-10 -3.045042731922697e-09 1.455370458777393e-09 ] [ -1.918096049936613e-09 2.105689463065575e-10 -1.021953965195453e-09 ] [ 1.984307440750132e-09 -8.881592397280243e-10 -6.72801868154882e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.361765240654236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.78166143643943e-18 } }