{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.5417e-10 0.0 0.0 ] "source-value" [ 5.5417 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] "source-value" [ -0.0877832 5.55439 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] "source-value" [ 0.0308884 0.040745 5.63916 ] } "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" [ [ 3.444017234687299e-09 8.743173950302849e-10 -2.793871425691826e-09 ] [ -1.435285893094368e-09 -2.933950688954342e-10 -8.301856002280109e-10 ] [ -1.530789238195325e-09 -4.621930276504666e-10 -2.191209004771678e-09 ] [ -5.71858652773323e-10 3.255034574210443e-09 3.025810203766614e-09 ] [ 1.278026970579999e-09 -1.27643328549529e-09 1.054186714670369e-09 ] [ 7.174572542768333e-10 -1.924205950480034e-09 -1.068840061826544e-09 ] [ -1.380084179366001e-09 3.262818268669613e-10 -4.928372190058599e-10 ] [ -5.214834961151156e-10 -4.994066238041261e-10 3.296946393086936e-09 ] ] "source-value" [ [ 2.1495865 0.545706 -1.7437974 ] [ -0.895835 -0.1831228 -0.5181611 ] [ -0.9554435 -0.2884782 -1.3676451 ] [ -0.3569261 2.0316328 1.8885622 ] [ 0.7976817 -0.796687 0.6579716 ] [ 0.4478016 -1.2009949 -0.6671175 ] [ -0.8613808 0.2036491 -0.3076048 ] [ -0.3254844 -0.3117051 2.0577921 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -6.564405206121034e-18 "source-value" -40.971795 } }