{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.18551e-10 0.0 0.0 ] "source-value" [ 5.18551 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.38045e-11 5.44258e-10 0.0 ] "source-value" [ 0.238045 5.44258 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.19846e-12 -8.31786e-12 5.06218e-10 ] "source-value" [ 0.0219846 -0.0831786 5.06218 ] } "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" [ [ -3.717787722807541e-09 -8.004407266316389e-09 -2.350831778672375e-09 ] [ 8.817723068251009e-09 1.338889815180301e-09 -6.657828925968192e-10 ] [ 6.909855634296909e-09 -6.513771618373891e-09 8.496934624363785e-09 ] [ -2.831455829602603e-08 2.45551857585903e-08 -1.537487249710943e-08 ] [ -7.631501298695837e-09 -5.869267553913241e-09 -9.221500896524772e-09 ] [ 1.882499915168716e-08 -1.004990407526214e-08 -6.394349538718674e-09 ] [ 1.195078698045553e-08 -7.902940139179827e-09 3.554498816319597e-08 ] [ -6.839517517161196e-09 1.244621507927488e-08 -1.003458534415535e-08 ] ] "source-value" [ [ -2.3204606 -4.9959581 -1.4672738 ] [ 5.5035899 0.8356693 -0.415549 ] [ 4.3127927 -4.0655765 5.3033695 ] [ -17.6725574 15.3261416 -9.5962407 ] [ -4.7632085 -3.6633087 -5.7556082 ] [ 11.7496404 -6.2726568 -3.9910391 ] [ 7.4590946 -4.9326273 22.1854368 ] [ -4.2688911 7.7683165 -6.2630956 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.414190954496824e-18 "source-value" -21.309704 } }