{ "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" [ 5.34161 0 0 ] "si-unit" "m" "si-value" [ 5.341610000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0977669 5.5284 0 ] "si-unit" "m" "si-value" [ -9.776690000000001e-12 5.5284e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.072801 -0.0524088 5.47046 ] "si-unit" "m" "si-value" [ -7.280100000000001e-12 -5.24088e-12 5.470460000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0796719 -0.127908 0.00668105 ] [ 1.22031 1.46092 1.38882 ] [ -0.251468 2.67688 2.66146 ] [ 1.14494 4.10147 3.98362 ] [ 2.6636 -0.086404 2.79747 ] [ 4.00012 1.38046 4.02333 ] [ 2.71061 2.85329 -0.00699576 ] [ 4.09739 4.08725 1.448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.967190000000001e-12 -1.27908e-11 6.68105e-13 ] [ 1.22031e-10 1.46092e-10 1.38882e-10 ] [ -2.51468e-11 2.67688e-10 2.66146e-10 ] [ 1.14494e-10 4.10147e-10 3.98362e-10 ] [ 2.663600000000001e-10 -8.6404e-12 2.79747e-10 ] [ 4.00012e-10 1.38046e-10 4.02333e-10 ] [ 2.71061e-10 2.85329e-10 -6.99576e-13 ] [ 4.09739e-10 4.08725e-10 1.448e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6817174 2.5269792 -1.2706678 ] [ 1.1488755 -1.6404972 -1.0409328 ] [ 5.184645 -0.2260285 1.2307334 ] [ 0.0665796 -0.8916956 1.8803885 ] [ 0.074933 1.0965146 -1.7375725 ] [ -2.7502934 -1.862388 2.9088237 ] [ -1.0354862 -0.9261665 -0.3456466 ] [ -5.3709707 1.9232821 -1.6251258 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.296584921872562e-09 4.048666995487887e-09 -2.03583424196337e-09 ] [ 1.84070146630991e-09 -2.628366260327862e-09 -1.667758195983882e-09 ] [ 8.306717006147615e-09 -3.621375783344928e-10 1.971852279917695e-09 ] [ 1.066722785422157e-10 -1.428653843190229e-09 3.012714492721181e-09 ] [ 1.200559007264064e-10 1.756810056485863e-09 -2.783898036445008e-09 ] [ -4.406455785820542e-09 -2.983874512458471e-09 4.660449326168953e-09 ] [ -1.659031780801033e-09 -1.483882313268163e-09 -5.537869015790094e-10 ] [ -8.605243686541811e-09 3.081437615823128e-09 -2.603738562618897e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.959104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.761283573371578e-18 } }