{ "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" [ [ -3.1553422 -3.4301893 8.3885538 ] [ -0.0676472 6.7734819 -7.4611205 ] [ -0.4311235 0.4370126 1.3762392 ] [ -8.8864015 5.9590044 -11.4193496 ] [ 1.1953392 -3.408607 2.7920606 ] [ 0.0194912 1.6165234 -2.7985317 ] [ 4.5341903 -13.5711967 10.4316538 ] [ 6.7914937 5.6239708 -1.3095057 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.055415545114155e-09 -5.495769146656816e-09 1.343994489141191e-08 ] [ -1.083827631955248e-10 1.085231443100192e-08 -1.19540329285584e-08 ] [ -6.90735998068299e-10 7.001713764835883e-10 2.204978289034853e-09 ] [ -1.423758484364255e-08 9.54737761158319e-09 -1.829581510459724e-08 ] [ 1.915144535944253e-09 -5.461190489888837e-09 4.47337425403202e-09 ] [ 3.12283452086208e-11 2.589956019794236e-09 -4.483742099248297e-09 ] [ 7.264573752769449e-09 -2.17434542481579e-08 1.671335197233731e-08 ] [ 1.088117251609821e-08 9.010594606058288e-09 -2.098059434629814e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.392321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.388733665722751e-18 } }