{ "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" [ [ 10.2290303 11.9841472 -9.9769 ] [ 2.4937069 -4.3978691 -2.0469573 ] [ 36.6902452 -8.8322352 13.1526121 ] [ -7.4228559 -9.3434995 4.7390169 ] [ 5.7325151 3.5977636 -10.901786 ] [ -12.6318829 -11.9462128 18.1908547 ] [ -0.0638282 -0.6985495 -1.0160486 ] [ -35.0269305 19.6364552 -12.1407917 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.638871320011481e-08 1.920072046406578e-08 -1.598475592805952e-08 ] [ 3.995358894307643e-09 -7.046163053358738e-09 -3.279587129835892e-09 ] [ 5.878425307085942e-08 -1.415080074684681e-08 2.107280760907119e-08 ] [ -1.189272618254734e-08 -1.496993645535649e-08 7.592742082756091e-09 ] [ 9.184501671602975e-09 5.764252727085242e-09 -1.746658665416475e-08 ] [ -2.02385074590633e-08 -1.913994285526171e-08 2.91449621127098e-08 ] [ -1.022640497877466e-10 -1.11919967737153e-09 -1.627889312516571e-09 ] [ -5.611932914548646e-08 3.146106943682659e-08 -1.945169261974269e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -28.291202 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.53275024187302e-18 } }