{ "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" [ 5.55975 0 0 ] "si-unit" "m" "si-value" [ 5.55975e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00335003 5.48819 0 ] "si-unit" "m" "si-value" [ 3.35003e-13 5.488190000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0164792 -0.0422926 5.51812 ] "si-unit" "m" "si-value" [ 1.64792e-12 -4.22926e-12 5.51812e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0695878 -0.00317054 -0.0200442 ] [ 1.39636 1.32374 1.28539 ] [ -0.0674176 2.58156 2.68412 ] [ 1.50658 3.99879 4.14654 ] [ 2.80481 -0.0668971 2.57568 ] [ 4.18687 1.32364 3.96453 ] [ 2.74594 2.77319 -0.0797703 ] [ 4.04367 4.06467 1.27465 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.958780000000001e-12 -3.17054e-13 -2.00442e-12 ] [ 1.39636e-10 1.32374e-10 1.28539e-10 ] [ -6.74176e-12 2.58156e-10 2.68412e-10 ] [ 1.50658e-10 3.99879e-10 4.14654e-10 ] [ 2.80481e-10 -6.689710000000001e-12 2.57568e-10 ] [ 4.18687e-10 1.32364e-10 3.96453e-10 ] [ 2.74594e-10 2.77319e-10 -7.97703e-12 ] [ 4.04367e-10 4.06467e-10 1.27465e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.349016 -0.4887171 -0.8194918 ] [ -0.1875872 0.1495639 -0.0572388 ] [ 1.1398455 1.8550811 -0.5906551 ] [ -1.9492151 1.1766231 -1.5661976 ] [ -0.755857 0.2429868 1.3613184 ] [ -1.0052544 -0.7666207 1.4064584 ] [ 0.6840097 -1.789426 0.0736611 ] [ 1.7250426 -0.3794911 0.1921454 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.591852754851328e-10 -7.830111118051757e-10 -1.31297060289731e-09 ] [ -3.005478262013338e-10 2.396277838956691e-10 -9.170666716264703e-11 ] [ 1.826233811424087e-09 2.972167568107947e-09 -9.46333792176286e-10 ] [ -3.122986862130334e-09 1.885158022313221e-09 -2.50932517827307e-09 ] [ -1.211016414068026e-09 3.893077701230054e-10 2.181072513944863e-09 ] [ -1.610595097636332e-09 -1.228261762561331e-09 2.253394766607775e-09 ] [ 1.095904349740422e-09 -2.866976501851661e-09 1.180180922824109e-10 ] [ 2.763822923604046e-09 -6.08011768221675e-10 3.078508676742643e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.192457 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.036276562590931e-18 } }