{ "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" [ [ 0.5018771 0.3161054 7.9268845 ] [ -2.9338892 3.2191601 -7.6395028 ] [ -0.7202615 -0.0992765 2.8861508 ] [ -6.3211285 3.385519 -9.950417 ] [ 0.7467597 -3.1598605 3.3779846 ] [ 0.7131812 1.4326256 -3.8823076 ] [ 3.5968174 -8.6849768 7.4276674 ] [ 4.4166439 3.5907038 -0.1464598 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.040957561349035e-10 5.064566815886323e-10 1.27002690216819e-08 ] [ -4.700608684257615e-09 5.15766305083219e-09 -1.223983278069614e-08 ] [ -1.153986136162339e-09 -1.590584872948512e-10 4.624123335863216e-09 ] [ -1.012756429977257e-08 5.424199391074195e-09 -1.594232548461087e-08 ] [ 1.196440932695622e-09 -5.062654618089399e-09 5.412127951542441e-09 ] [ 1.142642245034089e-09 2.295319242679573e-09 -6.220142471474158e-09 ] [ 5.762736747566642e-09 -1.39148667811504e-08 1.190043505535832e-08 ] [ 7.076243598978933e-09 5.75294168057772e-09 -2.346544674470439e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -24.809517 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.974922811074015e-18 } }