{ "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" [ [ 1.2443064 1.777351 -0.9128699 ] [ 1.0563354 -1.2631097 -0.7221674 ] [ 2.6469994 -0.270802 0.9612911 ] [ 0.0742897 -0.5091256 1.1483441 ] [ -0.0631884 0.7603688 -1.2171918 ] [ -1.3334041 -1.3301787 2.0151929 ] [ -0.8011849 -0.6450418 -0.343932 ] [ -2.8241535 1.4805379 -0.928667 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.993598623191813e-09 2.847630219155501e-09 -1.462578811612034e-09 ] [ 1.692435881603416e-09 -2.023724830845702e-09 -1.157039724583922e-09 ] [ 4.240960553951627e-09 -4.338726332658816e-10 1.540158126203115e-09 ] [ 1.190252205062458e-10 -8.157091333707725e-10 1.839850069653618e-09 ] [ -1.012389771857587e-10 1.218245114545751e-09 -1.950156244989469e-09 ] [ -2.136348875098865e-09 -2.131181214626137e-09 3.228694950782153e-09 ] [ -1.283639715717986e-09 -1.033470891398749e-09 -5.510398095449856e-10 ] [ -4.524792711250493e-09 2.372083209588329e-09 -1.487888555908474e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.824169240654236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.695529062175871e-18 } }