{ "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" [ 5.4238 0 0 ] "si-unit" "m" "si-value" [ 5.4238e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0012341 5.50722 0 ] "si-unit" "m" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00966142 -0.113973 5.43239 ] "si-unit" "m" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0339885 -0.0385369 0.0299316 ] [ 1.35039 1.32575 1.36375 ] [ -0.105411 2.62445 2.64243 ] [ 1.34087 3.97443 4.1654 ] [ 2.65221 0.0889868 2.75972 ] [ 4.05512 1.26127 4.10909 ] [ 2.71709 2.70534 0.0564386 ] [ 4.05687 4.02913 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.39885e-12 -3.85369e-12 2.99316e-12 ] [ 1.35039e-10 1.32575e-10 1.36375e-10 ] [ -1.05411e-11 2.62445e-10 2.64243e-10 ] [ 1.34087e-10 3.97443e-10 4.1654e-10 ] [ 2.652210000000001e-10 8.89868e-12 2.75972e-10 ] [ 4.05512e-10 1.26127e-10 4.10909e-10 ] [ 2.71709e-10 2.70534e-10 5.64386e-12 ] [ 4.05687e-10 4.02913e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3509028 0.363874 -0.4679268 ] [ -0.133091 -0.3026477 0.607574 ] [ -0.537518 -0.2758456 -1.5132989 ] [ -0.046296 -0.1708161 1.2477531 ] [ 0.1328145 1.8066323 -0.3210919 ] [ -0.4952397 -0.4219717 0.4630428 ] [ 0.4167862 0.0249898 -0.1869843 ] [ 0.3116412 -1.024215 0.1709321 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.622082669651752e-10 5.82990420520116e-10 -7.497013853823911e-10 ] [ -2.13235290395694e-10 -4.848950732738418e-10 9.73440866225916e-10 ] [ -8.61198779954412e-10 -4.419533749117104e-10 -2.424572137837902e-09 ] [ -7.417436944766399e-11 -2.736775641310074e-10 1.999120861821065e-09 ] [ 2.12792288556393e-10 2.894544057289678e-09 -5.144459395466645e-10 ] [ -7.934614755691697e-10 -6.760731979492578e-10 7.41876354701935e-10 ] [ 6.677651110136508e-10 4.003807364833319e-11 -2.995818763848462e-10 ] [ 4.993042488317207e-10 -1.64097334119231e-09 2.738634166205514e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -1.0393476015624756 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.66521844182734e-19 } }