{ "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" [ [ 0.0062844 1.1783265 8.0508072 ] [ -1.496478 2.2717944 -5.3423553 ] [ -0.5813393 0.7734453 1.6726159 ] [ -3.6860978 0.7923586 -8.2804697 ] [ -0.4211366 -1.5243938 1.7518118 ] [ 0.8278899 0.2190225 -3.9958388 ] [ 1.3881424 -6.2792157 4.3838076 ] [ 3.9627352 2.5686622 1.7596213 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.00687188387096e-11 1.887887185523001e-09 1.289881518067896e-08 ] [ -2.397622084895052e-09 3.639815904932049e-09 -8.559396832186059e-09 ] [ -9.314082428859161e-10 1.23919598733712e-09 2.67982611263688e-09 ] [ -5.905779765798805e-09 1.269498434668952e-09 -1.326677507188499e-08 ] [ -6.747352202422044e-10 -2.442348127374469e-09 2.806711933125481e-09 ] [ 1.326425853304596e-09 3.50912731820265e-10 -6.402039558590598e-09 ] [ 2.224049317944681e-09 -1.006041267438595e-08 7.023634104671618e-09 ] [ 6.349001744169316e-09 4.115450557479034e-09 2.819224131548704e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.275241 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.690410708491879e-18 } }