{ "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" [ 5.34161 0 0 ] "si-unit" "m" "si-value" [ 5.341610000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0977669 5.5284 0 ] "si-unit" "m" "si-value" [ -9.776690000000001e-12 5.5284e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.072801 -0.0524088 5.47046 ] "si-unit" "m" "si-value" [ -7.280100000000001e-12 -5.24088e-12 5.470460000000001e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2838494 2.5920044 -1.3193815 ] [ 1.3040698 -1.8302858 -0.9215566 ] [ 4.7069364 -0.1820687 1.3128498 ] [ 0.0267047 -1.0063802 1.8489967 ] [ -0.0120003 1.1893674 -1.9472698 ] [ -2.3381377 -1.8273575 2.9682125 ] [ -1.0380479 -0.8458162 -0.4465129 ] [ -4.9333744 1.9105366 -1.4953383 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.659130144254919e-09 4.152848884905189e-09 -2.113882210631871e-09 ] [ 2.089350162665053e-09 -2.932441142301997e-09 -1.476496451428484e-09 ] [ 7.541343517804076e-09 -2.917062169227558e-10 2.103417273511573e-09 ] [ 4.27856463579798e-11 -1.612398841360246e-09 2.962419309083108e-09 ] [ -1.92266002609902e-11 1.905576657521332e-09 -3.119870173653853e-09 ] [ -3.746109590014502e-09 -2.927749488464655e-09 4.755600712246724e-09 ] [ -1.663136090352768e-09 -1.355146952298671e-09 -7.153925351595785e-10 ] [ -7.90413719045377e-09 3.061017098921804e-09 -2.395796084185282e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.079881 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.620416566170055e-18 } }