{ "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" [ 5.44445 0 0 ] "si-unit" "m" "si-value" [ 5.44445e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.167308 5.39053 0 ] "si-unit" "m" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00577721 0.0671422 5.23553 ] "si-unit" "m" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0663122 0.114884 -0.548352 ] [ 1.65266 1.49476 1.67932 ] [ 0.0154179 2.74054 2.60324 ] [ 1.52833 4.11061 4.06642 ] [ 2.73369 0.0515698 2.61947 ] [ 3.80738 1.47511 4.06717 ] [ 2.81179 3.14543 -0.204063 ] [ 4.02065 4.01269 1.26672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.63122e-12 1.14884e-11 -5.48352e-11 ] [ 1.65266e-10 1.49476e-10 1.67932e-10 ] [ 1.54179e-12 2.74054e-10 2.60324e-10 ] [ 1.52833e-10 4.11061e-10 4.06642e-10 ] [ 2.733690000000001e-10 5.15698e-12 2.61947e-10 ] [ 3.807380000000001e-10 1.47511e-10 4.06717e-10 ] [ 2.81179e-10 3.14543e-10 -2.04063e-11 ] [ 4.02065e-10 4.01269e-10 1.26672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3583066 -2.7516329 6.7235329 ] [ -2.5548457 7.7638313 -7.4855966 ] [ 0.2254451 1.3392687 3.2851874 ] [ -13.6146804 7.8119146 -16.134274 ] [ 2.325399 -6.6679581 5.4343509 ] [ -0.917458 2.372685 -2.9639874 ] [ 9.7771062 -15.1464018 11.3039196 ] [ 7.1173404 5.2782932 -0.1631328 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.778423699198338e-09 -4.408601901404105e-09 1.077228722155962e-08 ] [ -4.093314050291411e-09 1.243902899669527e-08 -1.199324786525997e-08 ] [ 3.612028684939181e-10 2.145745000109209e-09 5.263450447226737e-09 ] [ -2.181312263654399e-08 1.251606693580618e-08 -2.58499565963813e-08 ] [ 3.7256999118317e-09 -1.068324657629399e-08 8.706789961203438e-09 ] [ -1.469929758165926e-09 3.801460435522849e-09 -4.748831316625779e-09 ] [ 1.566465097271873e-08 -2.426721085320304e-08 1.811087570652289e-08 ] [ 1.140323639115532e-08 8.45675796276762e-09 -2.613675582456422e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.375712 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.065637250255401e-18 } }