{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3929104 -0.3071827 2.0483217 ] [ -0.8985962 1.4549902 -2.0542442 ] [ -0.883141 -0.4213425 -0.5622032 ] [ 1.1285311 -0.3778814 0.5127368 ] [ 1.7308999 -1.3080822 0.6201029 ] [ -1.0417388 1.4538835 -0.5962743 ] [ -1.9078333 -2.1548468 -1.4391859 ] [ 1.4789678 1.6604619 1.4707462 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.295118621355935e-10 -4.921609443090317e-10 3.281773166655157e-09 ] [ -1.43970983504119e-09 2.331151301138987e-09 -3.291262057770023e-09 ] [ -1.414947874727394e-09 -6.750651084111449e-10 -9.007488306000287e-10 ] [ 1.808106159162317e-09 -6.054327495032075e-10 8.214949203519311e-10 ] [ 2.773207375572936e-09 -2.095778736191315e-09 9.935143770556385e-10 ] [ -1.669049564091199e-09 2.329378172258139e-09 -9.553367509147062e-10 ] [ -3.056685934827112e-09 -3.452445192809671e-09 -2.30583002096226e-09 ] [ 2.369567651598385e-09 2.660353257827244e-09 2.35639519618429e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.342841 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.822765066337719e-18 } }