{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.47225e-10 0.0 0.0 ] "source-value" [ 5.47225 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] "source-value" [ -0.0720088 5.55574 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] "source-value" [ -0.0610026 -0.0268755 5.37267 ] } "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" [ [ 2.406137633881094e-10 8.938238953885248e-11 -2.30086501683481e-10 ] [ 2.288119701816346e-10 -1.05299052960528e-10 -2.143518455259283e-10 ] [ -1.781197427701709e-10 1.029531459523526e-10 3.454206276907277e-10 ] [ -7.305925390848e-13 7.084312320658945e-11 -5.24304288273696e-11 ] [ -5.048706869517024e-10 -6.783572553698438e-10 -5.747342393723347e-10 ] [ 5.544676664251872e-10 5.117595657681562e-10 5.767449710314388e-10 ] [ 1.58851806510768e-10 -6.44026936262976e-12 3.449053676894784e-11 ] [ -4.990241842447411e-10 1.51581930093888e-11 1.149470401356614e-10 ] ] "source-value" [ [ 0.15017930000000002 0.055788100000000014 -0.14360870000000003 ] [ 0.14281320000000003 -0.06572250000000002 -0.13378790000000002 ] [ -0.11117360000000003 0.06425830000000002 0.21559460000000005 ] [ -0.00045600000000000013 0.04421680000000001 -0.032724500000000004 ] [ -0.31511550000000005 -0.4233973000000001 -0.35872090000000006 ] [ 0.34607150000000003 0.31941520000000007 0.35997590000000007 ] [ 0.09914750000000003 -0.004019700000000001 0.021527300000000003 ] [ -0.31146640000000003 0.009461000000000002 0.07174430000000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 4.777187759984331e-18 "source-value" 29.816861 } }