{ "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" [ [ 0.0391957 0.5874393 7.7856247 ] [ -3.208139 1.4191618 -5.5096861 ] [ -0.3002449 -0.3653505 1.0206247 ] [ -7.3550385 4.0841077 -7.0074865 ] [ 1.1369678 -1.7957791 -0.1743725 ] [ 1.906797 -0.6539763 -3.0271902 ] [ 2.5957121 -6.7956076 6.0094908 ] [ 5.1847497 3.5200048 0.9029951 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.279843417589057e-11 9.411815125991175e-10 1.247394587266301e-08 ] [ -5.140005302076692e-09 2.273747857092445e-09 -8.82749025736673e-09 ] [ -4.810453592944339e-10 -5.853560294975904e-10 1.635221032951014e-09 ] [ -1.17840707297839e-08 6.543461873769259e-09 -1.122723104087162e-08 ] [ 1.82162322776241e-09 -2.877155290141265e-09 -2.79375542810448e-10 ] [ 3.055025574011578e-09 -1.047785538417287e-09 -4.850093365154876e-09 ] [ 4.158789240947672e-09 -1.08877636208508e-08 9.628265662672688e-09 ] [ 8.306884754039814e-09 5.639669395663779e-09 1.446757637916958e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.409056 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.352720844619797e-18 } }