{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0070085 -0.2388504 1.9128535 ] [ -0.3956815 1.1498062 -1.5211818 ] [ -0.500192 -0.1171839 -0.4655209 ] [ 0.802812 -0.0054339 0.5388807 ] [ 1.1996904 -0.961192 0.3309106 ] [ -0.4062673 1.1195562 -0.6462529 ] [ -1.4416843 -1.8861003 -1.0527481 ] [ 0.7483313 0.939398 0.9030588 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12288548468768e-11 -3.826805267487283e-10 3.064729156715453e-09 ] [ -6.339516485830753e-10 1.842192612090889e-09 -2.437201915946461e-09 ] [ -8.013959283111935e-10 -1.877493049141651e-10 -7.458467024737748e-10 ] [ 1.28624661729769e-09 -8.706067539765121e-12 8.633820589403386e-10 ] [ 1.9221159110782e-09 -1.539999350499994e-09 5.301772268949005e-10 ] [ -6.509119698555399e-10 1.793726769311689e-09 -1.0354112875042e-09 ] [ -2.309832880034413e-09 -3.021865805143866e-09 -1.686688393411621e-09 ] [ 1.198958913472871e-09 1.505081513226278e-09 1.446859696567703e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.09912 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.54066934042537e-18 } }