{ "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" [ 5.37283 0 0 ] "si-unit" "m" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.256601 5.36059 0 ] "si-unit" "m" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0433697 -0.246629 5.47376 ] "si-unit" "m" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00270324 -0.00280673 0.144383 ] [ 1.34461 1.35881 1.37149 ] [ -0.0221547 2.59799 2.84643 ] [ 1.34697 4.04373 4.10747 ] [ 2.75027 0.00909757 2.6523 ] [ 4.11164 1.31842 4.20835 ] [ 2.66226 2.78619 -0.017694 ] [ 3.99298 4.09333 1.38778 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70324e-13 -2.80673e-13 1.44383e-11 ] [ 1.34461e-10 1.35881e-10 1.37149e-10 ] [ -2.21547e-12 2.59799e-10 2.84643e-10 ] [ 1.34697e-10 4.04373e-10 4.10747e-10 ] [ 2.75027e-10 9.09757e-13 2.6523e-10 ] [ 4.11164e-10 1.31842e-10 4.20835e-10 ] [ 2.66226e-10 2.78619e-10 -1.7694e-12 ] [ 3.99298e-10 4.09333e-10 1.38778e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.474207 3.3235585 -4.2196873 ] [ 0.3608246 0.5668341 0.6241522 ] [ 0.7785019 1.9723373 -1.6353584 ] [ -1.1501294 -1.7720483 1.2327398 ] [ 1.3397935 0.9172155 0.8152188 ] [ -0.4482871 -2.732765 -0.3699025 ] [ -1.0319733 1.0854524 0.6773476 ] [ -2.3229373 -3.3605844 2.8754898 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.964116643079237e-09 5.324927770432088e-09 -6.760684394846548e-09 ] [ 5.781047430923963e-10 9.081683503744193e-10 1.000002070899695e-09 ] [ 1.247297553704605e-09 3.160032736426648e-09 -2.620133016695626e-09 ] [ -1.842710450756439e-09 -2.839134380579422e-09 1.975066903361833e-09 ] [ 2.146585840085079e-09 1.469541242442627e-09 1.306124512957519e-09 ] [ -7.182351169436213e-10 -4.378372229213009e-09 -5.926491423581849e-10 ] [ -1.653403508171872e-09 1.739086472599222e-09 1.085230497815978e-09 ] [ -3.721755864307048e-09 -5.384249802264909e-09 4.607042568865333e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.70741 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.720957796265794e-18 } }