{ "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" [ 5.36644 0 0 ] "si-unit" "m" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.227231 5.37948 0 ] "si-unit" "m" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0350261 -0.0899265 5.39939 ] "si-unit" "m" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7835367 2.8500473 -0.1726028 ] [ -1.5856091 1.1163098 -0.5880589 ] [ 2.3244674 2.5377262 -2.097176 ] [ -1.0124988 0.849357 -4.0773629 ] [ 0.7110525 -1.4078605 2.5719389 ] [ -2.3273966 -2.1014861 2.8817355 ] [ 4.0197124 -1.8299481 1.7778952 ] [ -2.9132644 -2.0141456 -0.2963691 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.255364182278783e-09 4.566279152234163e-09 -2.765401708446182e-10 ] [ -2.54042582974773e-09 1.788525463129924e-09 -9.421742212333652e-10 ] [ 3.724207324091762e-09 4.065885587631625e-09 -3.360046356902861e-09 ] [ -1.622201905948055e-09 1.360819928112826e-09 -6.532655512897288e-09 ] [ 1.139231691661392e-09 -2.255641178447798e-09 4.12070037570607e-09 ] [ -3.728900419849409e-09 -3.366951898356171e-09 4.617049245429399e-09 ] [ 6.440289229619859e-09 -2.931900063097381e-09 2.84850212367254e-09 ] [ -4.66756411188894e-09 -3.227016991207189e-09 -4.748356431475373e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -32.943281 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.278095463064484e-18 } }