{ "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" [ [ 0.3105171 -0.0176684 0.5583406 ] [ -7.815058 6.8107552 1.4443108 ] [ -0.5333196 1.3894629 -8.7005624 ] [ -7.3190703 4.1594067 -4.6853431 ] [ 6.103101 -3.0479093 -0.4699756 ] [ -2.5885448 -0.347041 -0.8906864 ] [ 6.9837109 -7.2322382 2.3009622 ] [ 4.8586637 -1.7147678 10.4429538 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.975032379786157e-10 -2.830789740694272e-11 8.945602557634443e-10 ] [ -1.252110321779601e-08 1.091203275143203e-08 2.314040996928945e-09 ] [ -8.544721945344077e-10 2.226164973848968e-09 -1.393983766509154e-08 ] [ -1.172644332065164e-08 6.66410417113888e-09 -7.506747175246596e-09 ] [ 9.7782457365811e-09 -4.883289022778894e-09 -7.529839186664525e-10 ] [ -4.147305960453412e-09 -5.560209766590528e-10 -1.427036926544517e-09 ] [ 1.118913833040613e-08 -1.158732296009668e-08 3.686547842184534e-09 ] [ 7.784437388469626e-09 -2.74736087926065e-09 1.673145643045452e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.359938 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.941586342293751e-18 } }