{ "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" [ [ 0.2430382 -0.2235571 0.0989768 ] [ -0.6699095 0.4915137 -0.3570563 ] [ 1.4727671 0.1809261 1.7685387 ] [ -0.3340699 0.35466 -1.5876367 ] [ 0.3556665 -3.1047716 0.1144639 ] [ 0.204031 0.7265001 0.2252149 ] [ -0.3625704 -0.0653641 -0.5052172 ] [ -0.9089529 1.6400928 0.2427158 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.893901220013146e-10 -3.581779590338477e-10 1.585783149615974e-10 ] [ -1.073313338951818e-09 7.87491758942905e-10 -5.720672561693511e-10 ] [ 2.359633015503415e-09 2.898755675125229e-10 2.833511358120025e-09 ] [ -5.352389834929939e-10 5.682279603329279e-10 -2.543674403064063e-09 ] [ 5.698405511017632e-10 -4.974392470443809e-09 1.833913845055891e-10 ] [ 3.268936981184448e-10 1.163981475228862e-09 3.608340474358099e-10 ] [ -5.809018182741043e-10 -1.047248328596333e-10 -8.094471862660378e-10 ] [ -1.45630308578836e-09 2.62771834010241e-09 3.888735802587686e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.433909 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.837355720415471e-18 } }