{ "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" [ [ -3.2101874 1.3390358 3.3337286 ] [ 0.0525524 0.1323551 -0.604639 ] [ 0.5200617 -0.1280043 0.1887145 ] [ 3.2629421 -3.1456906 -2.8137487 ] [ -2.7439126 1.779189 3.2952365 ] [ -0.3355593 0.6426856 0.6281934 ] [ -0.3786789 0.3734315 -0.8259938 ] [ 2.8327819 -0.9930021 -3.2014913 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.143287200666739e-09 2.145371853174225e-09 5.341222023012314e-09 ] [ 8.419822664692992e-11 2.120562468636461e-10 -9.687384698238913e-10 ] [ 8.332306971135034e-10 -2.050854968218694e-10 3.023539599059616e-10 ] [ 5.227809547644056e-09 -5.039951935590324e-09 -4.508122383946393e-09 ] [ -4.396232617238542e-09 2.850575019784531e-09 5.27955088030682e-09 ] [ -5.376252653520135e-10 1.02969584284482e-09 1.006476778820863e-09 ] [ -6.067104803702611e-10 5.983032187702753e-10 -1.323387955285751e-09 ] [ 4.538616932005403e-09 -1.590964749025304e-09 -5.129354512554599e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.203043 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.64014924756171e-18 } }