{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0171585 0.9880077 -2.4987923 ] [ -0.219495 0.7859047 -0.1826498 ] [ -1.1892494 -1.1864706 -1.5800759 ] [ -1.3522757 -0.4147116 4.1875897 ] [ 5.0649208 2.1074985 -1.5177453 ] [ 0.5475796 -2.6730649 -1.2458582 ] [ -1.2057539 0.9598248 0.4379042 ] [ -2.662885 -0.5669887 2.3996276 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.629667581774489e-09 1.582962851152082e-09 -4.003506636279117e-09 ] [ -3.5166976027983e-10 1.25915814689078e-09 -2.926372417647732e-10 ] [ -1.905387600678519e-09 -1.90093547224796e-09 -2.531560686926521e-09 ] [ -2.166584529265994e-09 -6.644412353687543e-10 6.709258370119069e-09 ] [ 8.114897758820587e-09 3.376584852890049e-09 -2.43169605602332e-09 ] [ 8.773192403750664e-10 -4.282722123945546e-09 -1.996084897317298e-09 ] [ -1.931830724934372e-09 1.537808867293723e-09 7.015998771704628e-10 ] [ -4.26641212602909e-09 -9.084160468820358e-10 3.844627271021498e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -326.88403 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.23725954893755e-17 } }