{ "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" [ 5.4238 0 0 ] "si-unit" "m" "si-value" [ 5.4238e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0012341 5.50722 0 ] "si-unit" "m" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00966142 -0.113973 5.43239 ] "si-unit" "m" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0339885 -0.0385369 0.0299316 ] [ 1.35039 1.32575 1.36375 ] [ -0.105411 2.62445 2.64243 ] [ 1.34087 3.97443 4.1654 ] [ 2.65221 0.0889868 2.75972 ] [ 4.05512 1.26127 4.10909 ] [ 2.71709 2.70534 0.0564386 ] [ 4.05687 4.02913 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.39885e-12 -3.85369e-12 2.99316e-12 ] [ 1.35039e-10 1.32575e-10 1.36375e-10 ] [ -1.05411e-11 2.62445e-10 2.64243e-10 ] [ 1.34087e-10 3.97443e-10 4.1654e-10 ] [ 2.652210000000001e-10 8.89868e-12 2.75972e-10 ] [ 4.05512e-10 1.26127e-10 4.10909e-10 ] [ 2.71709e-10 2.70534e-10 5.64386e-12 ] [ 4.05687e-10 4.02913e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0243658 -0.1250759 0.0414294 ] [ -0.4895492 0.2363363 -0.3098547 ] [ 1.1777011 0.3379698 1.6005746 ] [ -0.1359722 0.3778897 -1.380578 ] [ 0.1384915 -2.8647371 -0.000974 ] [ 0.3895286 0.4078834 0.2107529 ] [ -0.4459327 0.0578482 -0.4748019 ] [ -0.6099013 1.5718855 0.3134517 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.90383154287172e-11 -2.003936844565206e-10 6.637721664063959e-11 ] [ -7.843442894333927e-10 3.786524976260142e-10 -4.964419602750797e-10 ] [ 1.886885184256097e-09 5.414873165576532e-10 2.564403225093896e-09 ] [ -2.178514817135748e-10 6.054460475692697e-10 -2.211929813014452e-09 ] [ 2.21887845307611e-10 -4.589814844172921e-09 -1.560520041516e-12 ] [ 6.240936211947324e-10 6.535012528764756e-10 3.376633719277385e-10 ] [ -7.144629522765318e-10 9.268303435895879e-11 -7.607165099588045e-10 ] [ -9.77169611906224e-10 2.518438219423407e-09 5.022049896275777e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.500875 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.848084904555475e-18 } }