{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] "source-value" [ 5.59774 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] "source-value" [ -0.20689 5.51351 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] "source-value" [ 0.513105 0.215809 5.94806 ] } "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" [ [ 2.651182697367013e-09 6.809931563463839e-10 -5.602006068532661e-09 ] [ 6.536383938111553e-10 2.206101076244352e-10 -5.3430972105293e-09 ] [ 1.999320957210662e-09 1.024658599549025e-08 -9.532311625288301e-10 ] [ 2.506489966524902e-10 4.035648990008563e-10 2.255866284263021e-10 ] [ 2.753699891060846e-09 -2.473862921383607e-09 7.161595232575178e-09 ] [ -5.603387465215116e-09 -4.828245604100661e-09 7.478100257266693e-09 ] [ -2.288420270150408e-09 -4.577705395240724e-10 -4.710811024543546e-09 ] [ -4.166833609543047e-10 -3.791874933235926e-09 1.743863347866165e-09 ] ] "source-value" [ [ 1.6547381 0.4250425 -3.4964972 ] [ 0.407969 0.137694 -3.334899 ] [ 1.247878 6.395416 -0.5949601 ] [ 0.1564428 0.2518854 0.1408001 ] [ 1.7187243 -1.5440638 4.4699162 ] [ -3.4973594 -3.0135539 4.6674631 ] [ -1.4283196 -0.2857179 -2.940257 ] [ -0.2600733 -2.3667022 1.0884339 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -2.46673e-13 -1.44352e-13 -3.30248e-12 ] [ 1.48237e-10 1.24989e-10 1.2555e-10 ] [ 1.1896e-11 2.3805e-10 2.33914e-10 ] [ 1.62926e-10 4.22989e-10 4.16904e-10 ] [ 2.92639e-10 1.37476e-11 2.28463e-10 ] [ 4.54625e-10 1.57381e-10 3.68026e-10 ] [ 3.00188e-10 2.71108e-10 7.36878e-12 ] [ 4.22934e-10 4.27512e-10 1.23802e-10 ] ] "source-value" [ [ -0.00246673 -0.00144352 -0.0330248 ] [ 1.48237 1.24989 1.2555 ] [ 0.11896 2.3805 2.33914 ] [ 1.62926 4.22989 4.16904 ] [ 2.92639 0.137476 2.28463 ] [ 4.54625 1.57381 3.68026 ] [ 3.00188 2.71108 0.0736878 ] [ 4.22934 4.27512 1.23802 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.151687132591711e-18 "source-value" -19.671284 } }