{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.539576 0.0469081 -2.9565441 ] [ -2.0847208 -0.4303003 -1.2482402 ] [ -2.1346285 -0.1071965 -1.0392392 ] [ 0.5239351 2.6789089 1.7409841 ] [ 1.3895638 -0.18435 0.8778361 ] [ 0.4724897 -1.9109038 -0.7103717 ] [ -1.8291245 0.6251922 0.5437923 ] [ 0.1229091 -0.7182587 2.7917825 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.671025914744781e-09 7.515506114614848e-11 -4.736905835384178e-09 ] [ -3.340090926655473e-09 -6.894170805832263e-10 -1.999901265582716e-09 ] [ -3.420051876793372e-09 -1.717477261315872e-10 -1.665044749658895e-09 ] [ 8.394365680365101e-10 4.292085208833045e-09 2.789364022204529e-09 ] [ 2.226326633470007e-09 -2.9536126004448e-10 1.406448476314251e-09 ] [ 7.570119509088058e-10 -3.061605392957879e-09 -1.138140929817952e-09 ] [ -2.930580510432489e-09 1.001668326346518e-09 8.712513096310599e-10 ] [ 1.969220865035693e-10 -1.150777296826201e-09 4.472928651858577e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -212.42918 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.40349065771715e-17 } }