{ "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" [ [ 2.1692966000000005 2.0090052000000003 -3.822398900000001 ] [ 3.243472500000001 -2.0690907000000003 -2.0872874000000006 ] [ -1.7162685000000004 -0.12660360000000004 4.578257100000001 ] [ -0.6587875000000001 2.2581945000000005 -0.7617347000000002 ] [ -13.235023200000004 -14.756539700000003 -14.154695400000003 ] [ 14.067846200000004 14.482744100000003 13.697127800000004 ] [ 1.7228138000000004 -1.6090703000000004 0.43456060000000013 ] [ -5.593349900000001 -0.18863940000000007 2.1161709000000006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.475596324735645e-09 3.218781189024497e-09 -6.124158203407303e-09 ] [ 5.196615852521567e-09 -3.315048773166704e-09 -3.344203100722612e-09 ] [ -2.74976528837023e-09 -2.028413297002824e-10 7.335176550064602e-09 ] [ -1.055493939271275e-09 3.618026462927314e-09 -1.220433537647e-09 ] [ -2.120484492148791e-08 -2.364258310603337e-08 -2.267832223126729e-08 ] [ 2.25391744723457e-08 2.320391419322136e-08 2.194521811407183e-08 ] [ 2.76025201509275e-09 -2.578014837123371e-09 6.962428393770205e-10 ] [ -8.961534515566237e-09 -3.022336389317797e-10 3.390479569530751e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.142466 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.310008461833944e-18 } }