{ "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" [ 5.44188 0 0 ] "si-unit" "m" "si-value" [ 5.44188e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0681259 5.43851 0 ] "si-unit" "m" "si-value" [ -6.812590000000001e-12 5.43851e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00252152 -0.017859 5.5414 ] "si-unit" "m" "si-value" [ -2.52152e-13 -1.7859e-12 5.5414e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00431502 -0.0137584 0.0307734 ] [ 1.33409 1.32426 1.37744 ] [ 0.0396224 2.60036 2.83022 ] [ 1.35045 4.04355 3.98016 ] [ 2.67673 0.013858 2.80413 ] [ 4.08887 1.41719 3.918 ] [ 2.72143 2.70354 0.017408 ] [ 3.9766 4.07774 1.36794 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.31502e-13 -1.37584e-12 3.07734e-12 ] [ 1.33409e-10 1.32426e-10 1.37744e-10 ] [ 3.962240000000001e-12 2.60036e-10 2.83022e-10 ] [ 1.35045e-10 4.04355e-10 3.98016e-10 ] [ 2.67673e-10 1.3858e-12 2.80413e-10 ] [ 4.08887e-10 1.41719e-10 3.918e-10 ] [ 2.72143e-10 2.70354e-10 1.7408e-12 ] [ 3.9766e-10 4.077740000000001e-10 1.36794e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.485251 -0.845977 -9.4627809 ] [ 3.6034989 1.935698 4.3476522 ] [ 18.869006 21.3848845 -31.0726552 ] [ -4.5933738 -4.8489339 19.0477047 ] [ 6.3327497 5.2712102 -16.2178276 ] [ -22.7709816 -20.3032326 31.9336025 ] [ -4.2713577 -4.2936878 -9.3332352 ] [ 4.3157093 1.7000385 10.7575395 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.379634428219821e-09 -1.355404571134522e-09 -1.516104632573278e-08 ] [ 5.773441690658517e-09 3.101330080529319e-09 6.965706710209685e-09 ] [ 3.023148027093493e-08 3.42623619844083e-08 -4.978388170761955e-08 ] [ -7.359396112955255e-09 -7.768848530384565e-09 3.051778715024228e-08 ] [ 1.014618351471821e-08 8.445409745762492e-09 -2.598382422088497e-08 ] [ -3.648313435218698e-08 -3.25293645983844e-08 5.116327134342043e-08 ] [ -6.84346944601406e-09 -6.879246210174186e-09 -1.495349123386762e-08 ] [ 6.914528542629133e-09 2.723761939159901e-09 1.723547828423252e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -28.729795 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.603020586937673e-18 } }