{ "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" [ [ -2.2064742 -5.5103866 -0.8854667 ] [ 5.5385424 0.8058539 -0.1488676 ] [ 4.0673099 -3.8944843 4.1698977 ] [ -18.1762307 15.4099985 -7.1835536 ] [ -4.6444354 -2.1814578 -6.4900459 ] [ 12.3666055 -7.9053283 -3.960097 ] [ 5.8362582 -4.9664405 21.0304476 ] [ -2.7815756 8.2422451 -6.5323145 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.535161377638384e-09 -8.828612582089602e-09 -1.418674045236927e-09 ] [ 8.873723146589522e-09 1.291120278360501e-09 -2.385121883146061e-10 ] [ 6.516548831328385e-09 -6.239651695532653e-09 6.680912606067692e-09 ] [ -2.912153188180722e-08 2.468953932326307e-08 -1.150932163218367e-08 ] [ -7.441205814695896e-09 -3.495080686421803e-09 -1.03981998088989e-08 ] [ 1.98134862107567e-08 -1.266573218200861e-08 -6.344774829500218e-09 ] [ 9.35071644099229e-09 -7.957114857694263e-09 3.369449146967947e-08 ] [ -4.456575395307733e-09 1.320553240212336e-08 -1.046592157161284e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -21.59511 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.459918036560429e-18 } }