{ "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" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5588398000000001 0.18083360000000004 -1.0662938000000002 ] [ 0.9069255000000003 -0.4006574000000001 -0.7268326000000002 ] [ -0.20930620000000005 -0.017033000000000003 1.2666491000000002 ] [ -0.17321140000000002 0.7261244000000001 0.018195500000000003 ] [ -1.8480693000000004 -3.2649087000000008 -2.5605232000000004 ] [ 2.1175480000000007 3.013599400000001 2.4227036000000006 ] [ 0.3927728000000001 -0.3182054000000001 0.12157200000000003 ] [ -1.7454993000000005 0.08024720000000002 0.5245294000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.953600623325481e-10 2.897273661750989e-10 -1.708390997263991e-09 ] [ 1.453054832907351e-09 -6.419239192305142e-10 -1.164514198955278e-09 ] [ -3.35345500228489e-10 -2.728987438208641e-11 2.029395574777362e-09 ] [ -2.775152555360371e-10 1.163379537472428e-09 2.91524047037664e-11 ] [ -2.960933426078222e-09 -5.230960388186523e-09 -4.102410408056003e-09 ] [ 3.3926858990218e-09 4.828318503136909e-09 3.881599067047996e-09 ] [ 6.292913974461544e-10 -5.098212524923124e-10 1.947798161438977e-10 ] [ -2.796598170082766e-09 1.285701877246618e-10 8.403887416022517e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -26.698019 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.27749418634742e-18 } }