{ "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" [ 5.37283 0 0 ] "si-unit" "m" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.256601 5.36059 0 ] "si-unit" "m" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0433697 -0.246629 5.47376 ] "si-unit" "m" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00270324 -0.00280673 0.144383 ] [ 1.34461 1.35881 1.37149 ] [ -0.0221547 2.59799 2.84643 ] [ 1.34697 4.04373 4.10747 ] [ 2.75027 0.00909757 2.6523 ] [ 4.11164 1.31842 4.20835 ] [ 2.66226 2.78619 -0.017694 ] [ 3.99298 4.09333 1.38778 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70324e-13 -2.80673e-13 1.44383e-11 ] [ 1.34461e-10 1.35881e-10 1.37149e-10 ] [ -2.21547e-12 2.59799e-10 2.84643e-10 ] [ 1.34697e-10 4.04373e-10 4.10747e-10 ] [ 2.75027e-10 9.09757e-13 2.6523e-10 ] [ 4.11164e-10 1.31842e-10 4.20835e-10 ] [ 2.66226e-10 2.78619e-10 -1.7694e-12 ] [ 3.99298e-10 4.09333e-10 1.38778e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6696168 2.0909169 -2.9625503 ] [ 0.1646303 0.5855244 0.2178545 ] [ 0.5315344 1.2829189 -0.9857907 ] [ -0.7311517 -0.9451307 0.7860633 ] [ 0.9539008 0.7791876 0.4768958 ] [ -0.2198855 -2.0340525 -0.2151814 ] [ -0.8562668 0.7946735 0.407377 ] [ -1.5123783 -2.5540382 2.2753317 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.675021002654909e-09 3.350018173215612e-09 -4.746528828604027e-09 ] [ 2.637668177352902e-10 9.381135045879474e-10 3.490413866360736e-10 ] [ 8.516119888309555e-10 2.055462667962454e-09 -1.579410812542067e-09 ] [ -1.171434159998175e-09 -1.514266311140339e-09 1.259412241728897e-09 ] [ 1.528317560322417e-09 1.248396155937262e-09 7.640713013177126e-10 ] [ -3.522954073529184e-10 -3.258911360979792e-09 -3.447586083110131e-10 ] [ -1.371890648127229e-09 1.273207302869309e-09 6.526899052516416e-10 ] [ -2.423097154065249e-09 -4.092020292670115e-09 3.64548325430512e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.152350038775918 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.748109422390475e-18 } }