{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.23298e-10 0.0 0.0 ] "source-value" [ 5.23298 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.24429e-11 5.53043e-10 0.0 ] "source-value" [ -0.924429 5.53043 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.29107e-11 -4.73789e-11 5.46851e-10 ] "source-value" [ -0.629107 -0.473789 5.46851 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.05486844082252e-09 -6.967955845749965e-10 -2.704535819710301e-09 ] [ -8.39405213440041e-09 -3.906911054391703e-09 2.457227521529841e-09 ] [ 2.909501794156258e-09 -3.886174242606351e-09 -3.163856465114997e-09 ] [ 3.172401674122034e-09 5.486020978164384e-09 3.092765965838156e-09 ] [ -1.582505737120466e-09 -4.760677329906986e-09 2.024259477184063e-09 ] [ -1.021930573416789e-09 -2.313858028358849e-09 4.394079131642525e-09 ] [ 1.963092539461133e-09 3.600481637815413e-09 -1.01008992742726e-08 ] [ 4.008361038238422e-09 6.477913623859091e-09 4.000959302685649e-09 ] ] "source-value" [ [ -0.6583971 -0.4349056 -1.6880385 ] [ -5.2391553 -2.4385021 1.5336808 ] [ 1.8159682 -2.4255592 -1.9747239 ] [ 1.9800574 3.424105 1.9303527 ] [ -0.9877224 -2.9713811 1.2634434 ] [ -0.6378389 -1.4441966 2.7425685 ] [ 1.225266 2.2472439 -6.3044855 ] [ 2.5018222 4.0431957 2.4972024 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.04863e-11 6.04192e-12 -5.94365e-12 ] [ 1.57212e-10 1.62558e-10 1.26329e-10 ] [ -4.56749e-11 2.61396e-10 2.82457e-10 ] [ 5.63094e-11 3.85296e-10 4.15247e-10 ] [ 2.57153e-10 7.262540000000001e-12 2.31215e-10 ] [ 3.48703e-10 1.34311e-10 4.102140000000001e-10 ] [ 2.49706e-10 2.93083e-10 3.28276e-11 ] [ 3.43659e-10 4.115e-10 1.72734e-10 ] ] "source-value" [ [ 0.204863 0.0604192 -0.0594365 ] [ 1.57212 1.62558 1.26329 ] [ -0.456749 2.61396 2.82457 ] [ 0.563094 3.85296 4.15247 ] [ 2.57153 0.0726254 2.31215 ] [ 3.48703 1.34311 4.10214 ] [ 2.49706 2.93083 0.328276 ] [ 3.43659 4.115 1.72734 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.521745411655174e-17 "source-value" 157.39497 } }