{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0349466 0.0407382 -0.0162044 ] [ -0.0737241 0.063918 -0.2860073 ] [ -0.124781 0.1134079 -0.0355814 ] [ 0.2399531 0.0049579 0.0519357 ] [ 0.0443865 -0.3277158 0.2926661 ] [ -0.1092062 0.0542872 0.2368784 ] [ 0.0425194 0.0293629 -0.2339803 ] [ 0.0157989 0.0210437 -0.0097069 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.599062549644928e-11 6.526979161347456e-11 -2.596231083409152e-11 ] [ -1.181190294095213e-10 1.024079252482944e-10 -4.582342094381319e-10 ] [ -1.999212009200448e-10 1.816994859940243e-10 -5.700768721533312e-11 ] [ 3.844472469084845e-10 7.943431468264321e-12 8.321016432488256e-11 ] [ 7.111501257913921e-11 -5.250585930267686e-10 4.689027831207149e-10 ] [ -1.74967620486409e-10 8.697768264869375e-11 3.795210344525107e-10 ] [ 6.812358861044352e-11 4.704455189888833e-11 -3.748777663877702e-10 ] [ 2.531262821435712e-11 3.371572415512896e-11 -1.555216824044352e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 29.414652 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.712746774336797e-18 } }