{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3715059 -0.3593719 4.0323628 ] [ -1.1299631 1.4145885 0.5819245 ] [ 1.6486149 -0.2287815 1.0972463 ] [ 2.9642914 -1.2901002 -2.1028833 ] [ -1.8741904 -0.1541853 2.3418119 ] [ -1.7379752 0.9987045 0.5363694 ] [ 0.0718422 -0.6876714 -2.3231186 ] [ 2.428886 0.3068172 -4.1637131 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.799571309069263e-09 -5.757772563524756e-10 6.460557404743626e-09 ] [ -1.810400461186693e-09 2.266420622752541e-09 9.323458289707295e-10 ] [ 2.64137224948253e-09 -3.665483705715552e-10 1.757982369119303e-09 ] [ 4.749318378318501e-09 -2.066968378929404e-09 -3.369190459530752e-09 ] [ -3.0027840418078e-09 -2.470320829310342e-10 3.751996276491227e-09 ] [ -2.784543232970204e-09 1.600101000987754e-09 8.593585127925236e-10 ] [ 1.151038932268378e-10 -1.101771039872805e-09 -3.722046308265627e-09 ] [ 3.891504363788429e-09 4.915753446993178e-10 -6.671003784538693e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -218.10508 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.494428600537137e-17 } }