{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39143e-10 0.0 0.0 ] "source-value" [ 5.39143 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] "source-value" [ 0.144963 5.17841 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] "source-value" [ -0.144779 0.421312 5.38784 ] } "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" [ [ 9.218525334104621e-10 -3.833452217633996e-09 2.215406518057958e-10 ] [ -6.281150473276305e-09 6.298031166370716e-09 7.792637007979556e-09 ] [ 9.564155045844363e-09 -3.297320020674906e-09 -5.76883799635631e-09 ] [ -2.673816646489054e-09 -1.361466887032305e-09 -1.86837362003372e-09 ] [ 3.401937507700946e-09 3.652837405212253e-09 1.96518129712167e-09 ] [ -6.020847401177522e-09 3.31233994584192e-10 -7.335066099662435e-09 ] [ 5.54764902231878e-09 2.739400144284881e-09 3.959073439070413e-09 ] [ -4.45977958833167e-09 -4.529263585110836e-09 1.03384532007503e-09 ] ] "source-value" [ [ 0.5753751 -2.3926527 0.1382748 ] [ -3.9203858 3.9309219 4.8637815 ] [ 5.9694761 -2.0580253 -3.6006255 ] [ -1.6688651 -0.8497608 -1.1661471 ] [ 2.1233224 2.2799218 1.2265697 ] [ -3.7579174 0.20674 -4.5781882 ] [ 3.4625702 1.7097991 2.4710593 ] [ -2.7835755 -2.826944 0.6452755 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.098519982616655e-18 "source-value" -31.822459 } }