{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.341610000000001e-10 0.0 0.0 ] "source-value" [ 5.34161 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.776690000000001e-12 5.5284e-10 0.0 ] "source-value" [ -0.0977669 5.5284 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.280100000000001e-12 -5.24088e-12 5.470460000000001e-10 ] "source-value" [ -0.072801 -0.0524088 5.47046 ] } "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" [ [ 3.200996521361762e-09 3.785819346479951e-09 -1.399306934244697e-09 ] [ 2.166217292534467e-09 -2.503558463961825e-09 -1.024611815991698e-09 ] [ 4.576042976778981e-09 -3.807159377763033e-10 1.712796502318205e-09 ] [ 1.407885148090122e-09 -1.16366392382262e-09 3.377250048804026e-09 ] [ -2.379682493518445e-10 1.42183465905678e-09 -2.437319355492767e-09 ] [ -2.1505122766444e-09 -1.837754262415949e-09 3.365946852961943e-09 ] [ -2.702577959879683e-09 -1.780798005070143e-09 -1.191810482043848e-09 ] [ -6.260083292671743e-09 2.458836747727772e-09 -2.402944816311164e-09 ] ] "source-value" [ [ 1.9979049 2.3629226 -0.8733787 ] [ 1.3520465 -1.5625983 -0.6395124 ] [ 2.8561414 -0.2376242 1.0690435 ] [ 0.8787328 -0.7263019 2.1079137 ] [ -0.1485281 0.8874394 -1.5212551 ] [ -1.3422442 -1.147036 2.1008588 ] [ -1.6868165 -1.1114867 -0.7438696 ] [ -3.9072367 1.5346852 -1.4998002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -7.967190000000001e-12 -1.27908e-11 6.68105e-13 ] [ 1.22031e-10 1.46092e-10 1.38882e-10 ] [ -2.51468e-11 2.67688e-10 2.66146e-10 ] [ 1.14494e-10 4.10147e-10 3.98362e-10 ] [ 2.663600000000001e-10 -8.6404e-12 2.79747e-10 ] [ 4.00012e-10 1.38046e-10 4.02333e-10 ] [ 2.71061e-10 2.85329e-10 -6.99576e-13 ] [ 4.09739e-10 4.08725e-10 1.448e-10 ] ] "source-value" [ [ -0.0796719 -0.127908 0.00668105 ] [ 1.22031 1.46092 1.38882 ] [ -0.251468 2.67688 2.66146 ] [ 1.14494 4.10147 3.98362 ] [ 2.6636 -0.086404 2.79747 ] [ 4.00012 1.38046 4.02333 ] [ 2.71061 2.85329 -0.00699576 ] [ 4.09739 4.08725 1.448 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -6.536619938727796e-18 "source-value" -40.798373 } }