{ "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" [ 5.18551 0 0 ] "si-unit" "m" "si-value" [ 5.18551e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.238045 5.44258 0 ] "si-unit" "m" "si-value" [ 2.38045e-11 5.44258e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0219846 -0.0831786 5.06218 ] "si-unit" "m" "si-value" [ 2.19846e-12 -8.31786e-12 5.06218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0772431 0.350103 0.202788 ] [ 1.30878 1.27698 1.65073 ] [ 0.0902711 2.6496 2.76502 ] [ 1.60148 3.65596 4.18013 ] [ 2.76894 -0.178197 3.21948 ] [ 3.70957 1.45836 3.94737 ] [ 2.83791 2.83658 -0.151442 ] [ 4.06532 3.74454 1.70854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.72431e-12 3.50103e-11 2.02788e-11 ] [ 1.30878e-10 1.27698e-10 1.65073e-10 ] [ 9.02711e-12 2.6496e-10 2.76502e-10 ] [ 1.60148e-10 3.65596e-10 4.18013e-10 ] [ 2.76894e-10 -1.78197e-11 3.21948e-10 ] [ 3.70957e-10 1.45836e-10 3.94737e-10 ] [ 2.83791e-10 2.83658e-10 -1.51442e-11 ] [ 4.06532e-10 3.74454e-10 1.70854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.426066 -3.6354902 -2.4235223 ] [ 4.769286 0.3674023 0.4472081 ] [ 5.5116915 -5.0316703 6.7680887 ] [ -23.2029737 18.537178 -12.3782785 ] [ -4.4348747 -5.7151505 -4.0966231 ] [ 12.7042626 -7.8060961 -6.4844236 ] [ 13.2529177 -4.2898501 24.9314019 ] [ -6.1742434 7.5736769 -6.7638512 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.886986225717773e-09 -5.824697403587517e-09 -3.882910769047445e-09 ] [ 7.641238527108749e-09 5.886433754881479e-10 7.165063624523885e-10 ] [ 8.830703262362084e-09 -8.061624518233722e-09 1.084367348264066e-08 ] [ -3.717526199517728e-08 2.969983320720811e-08 -1.983218841845129e-08 ] [ -7.105452560517414e-09 -9.15668051545343e-09 -6.563513755049222e-09 ] [ 2.035447252222382e-08 -1.250674467113806e-08 -1.038919189128377e-08 ] [ 2.123351489632651e-08 -6.873097536956542e-09 3.99445092479487e-08 ] [ -9.892228426608703e-09 1.213436806267302e-08 -1.083688425921003e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.281474 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.929015023656306e-18 } }