{ "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" [ 5.4207 0 0 ] "si-unit" "m" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.121917 5.37017 0 ] "si-unit" "m" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0328689 -0.300504 5.4102 ] "si-unit" "m" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0512752 -0.33658 -0.135216 ] [ 1.26577 1.35967 1.6251 ] [ 0.0338464 2.52642 2.69707 ] [ 1.45988 3.83229 4.06608 ] [ 2.77794 -0.093605 2.9072 ] [ 4.03914 1.38604 3.72159 ] [ 2.13334 2.58123 0.377362 ] [ 4.24352 4.40881 1.44889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.12752e-12 -3.3658e-11 -1.35216e-11 ] [ 1.26577e-10 1.35967e-10 1.6251e-10 ] [ 3.38464e-12 2.52642e-10 2.69707e-10 ] [ 1.45988e-10 3.83229e-10 4.06608e-10 ] [ 2.77794e-10 -9.3605e-12 2.9072e-10 ] [ 4.03914e-10 1.38604e-10 3.72159e-10 ] [ 2.13334e-10 2.58123e-10 3.77362e-11 ] [ 4.243520000000001e-10 4.40881e-10 1.44889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7613253999999996 4.107618199999999 -2.7576833999999995 ] [ 0.8562710999999998 -5.578684299999999 -2.2124234999999994 ] [ -2.9924940999999996 3.4023353999999997 -0.5000770999999999 ] [ 4.410748099999999 -1.0510341999999997 0.48510919999999996 ] [ -1.6499903999999999 -1.6601604999999997 -0.48455239999999994 ] [ -1.0519623999999999 2.3915264999999994 8.270044499999997 ] [ 5.946426799999999 0.7900303999999999 -2.2477293999999994 ] [ -2.7576735999999995 -2.4016314999999997 -0.5526879999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.424130998301208e-09 6.581129847212577e-09 -4.418295871048254e-09 ] [ 1.371897537486699e-09 -8.938037560284012e-09 -3.544693207008508e-09 ] [ -4.794504084901936e-09 5.451142234000216e-09 -8.012118382174636e-10 ] [ 7.06679748605802e-09 -1.683942422901231e-09 7.772306187749913e-10 ] [ -2.64357604342444e-09 -2.659870339875638e-09 -7.763385268325298e-10 ] [ -1.685429563240658e-09 3.83164784632365e-09 1.325007195087562e-08 ] [ 9.527225996258557e-09 1.265768236601272e-09 -3.601259494564811e-09 ] [ -4.41828016971737e-09 -3.847837841076835e-09 -8.855037921967102e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -214.63127 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.438772028866125e-17 } }