{ "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" [ 5.23298 0 0 ] "si-unit" "m" "si-value" [ 5.23298e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.924429 5.53043 0 ] "si-unit" "m" "si-value" [ -9.24429e-11 5.53043e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.629107 -0.473789 5.46851 ] "si-unit" "m" "si-value" [ -6.29107e-11 -4.73789e-11 5.46851e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.204863 0.0604192 -0.0594365 ] [ 1.57212 1.62558 1.26329 ] [ -0.456749 2.61396 2.82457 ] [ 0.563094 3.85296 4.15247 ] [ 2.57153 0.0726254 2.31215 ] [ 3.48703 1.34311 4.10214 ] [ 2.49706 2.93083 0.328276 ] [ 3.43659 4.115 1.72734 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04863e-11 6.04192e-12 -5.94365e-12 ] [ 1.57212e-10 1.62558e-10 1.26329e-10 ] [ -4.56749e-11 2.61396e-10 2.82457e-10 ] [ 5.63094e-11 3.85296e-10 4.15247e-10 ] [ 2.57153e-10 7.262540000000001e-12 2.31215e-10 ] [ 3.48703e-10 1.34311e-10 4.102140000000001e-10 ] [ 2.49706e-10 2.93083e-10 3.28276e-11 ] [ 3.43659e-10 4.115e-10 1.72734e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6232123 0.1306215 -0.0305313 ] [ -6.7120346 -3.7954731 2.6275926 ] [ 0.2931489 -1.6909166 -2.7059847 ] [ 1.1692659 2.7973785 2.5316544 ] [ 1.2818844 -2.5548078 2.9900914 ] [ -0.6186446 -1.4705651 1.6720265 ] [ 2.1514587 2.9748349 -8.3040248 ] [ 1.8117089 3.6089277 1.2191758 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.98496176854996e-10 2.092787134738272e-10 -4.891653506263105e-11 ] [ -1.075386491412068e-08 -6.081018265695301e-09 4.209867432707085e-09 ] [ 4.696763139932371e-10 -2.709147044242625e-09 -4.335465422582502e-09 ] [ 1.873370488478671e-09 4.481894432228573e-09 4.056157491625451e-09 ] [ 2.053805216248236e-09 -4.093253327797482e-09 4.790654535135141e-09 ] [ -9.911779147041677e-10 -2.356105022584414e-09 2.678881767658051e-09 ] [ 3.447016829756761e-09 4.766210927519906e-09 -1.33045143931034e-08 ] [ 2.902677643275285e-09 5.782139587097516e-09 1.953334963405137e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.27292 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.010474128814874e-18 } }