{ "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" [ [ -1.2845244 -1.2778733 5.2877595 ] [ -0.1670359 2.6092116 -4.6581416 ] [ -0.6285019 -0.3592363 2.8504054 ] [ -2.4545716 0.9748216 -5.7521344 ] [ -0.6024481 -1.6789551 2.1891695 ] [ 1.316023 1.0743475 -2.9935899 ] [ 0.0296047 -4.8405981 4.1630311 ] [ 3.7914542 3.498282 -1.0864995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.058034979482869e-09 -2.047378742472472e-09 8.471924717111522e-09 ] [ -2.676210160191605e-10 4.180417858681754e-09 -7.463165629383375e-09 ] [ -1.006971058604604e-09 -5.755600059446141e-10 4.566852929307423e-09 ] [ -3.932657263999994e-09 1.561836389838494e-09 -9.215935331307607e-09 ] [ -9.652282690176954e-10 -2.689982630755133e-09 3.507436220765463e-09 ] [ 2.108501300406582e-09 1.721294461296315e-09 -4.796259789558396e-09 ] [ 4.74319585965798e-11 -7.755493170404795e-09 6.669911155035317e-09 ] [ 6.074579328121162e-09 5.604865679542788e-09 -1.740764111752683e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.753677 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.606846943098321e-18 } }