{ "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" [ [ 0.6849032000000002 0.4749067000000001 -1.2767449000000002 ] [ 1.1346615000000002 -0.7143248000000001 -0.9182722000000002 ] [ -0.35304150000000006 0.14968330000000002 1.6392510000000005 ] [ -0.18273110000000004 0.8057000000000002 -0.13324610000000003 ] [ -1.7677279000000004 -3.0946442000000007 -2.3244006000000006 ] [ 2.0128388000000004 2.8098615000000002 2.2272193000000002 ] [ 0.5220980000000001 -0.27751130000000007 0.22254520000000005 ] [ -2.0510011000000006 -0.15367120000000004 0.5636484000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.097335903591829e-09 7.608844180700479e-10 -2.045570846358667e-09 ] [ 1.817928142799391e-09 -1.144474503646723e-09 -1.471234262491775e-09 ] [ -5.65634842132311e-10 2.398190857600122e-10 2.626369649461134e-09 ] [ -2.927674987251174e-10 1.2908737140138e-09 -2.134837879916274e-10 ] [ -2.832212336649889e-09 -4.958166627783623e-09 -3.724100329375581e-09 ] [ 3.2249232933686e-09 4.501894440076191e-09 3.568398721253836e-09 ] [ 8.36493216258132e-10 -4.446221205309643e-10 3.565567194488569e-10 ] [ -3.286066038728298e-09 -2.462084059587408e-10 9.030642962714858e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.918763 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.754820280078374e-18 } }