{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4690809 -0.4930591 -1.6542771 ] [ -0.1871682 -0.0614805 0.6580451 ] [ -0.019119 -0.4243491 -0.9469406 ] [ -1.2296504 -0.9047393 3.8986964 ] [ 1.4503026 0.7705886 -2.2218059 ] [ -0.7940676 0.549079 2.0981233 ] [ 0.3736736 -0.1877031 -2.53809 ] [ -0.0630518 0.7516637 0.7062488 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.515504512438228e-10 -7.899677626926893e-10 -2.650444093944824e-09 ] [ -2.998765141972186e-10 -9.850261973509441e-11 1.054304474651998e-09 ] [ -3.06320148130752e-11 -6.798822070775212e-10 -1.517166090606325e-09 ] [ -1.970117122637368e-09 -1.449552154378957e-09 6.246400223677126e-09 ] [ 2.323640918805454e-09 1.234619039175003e-09 -3.559725468935503e-09 ] [ -1.272236544054766e-09 8.797215367722432e-10 3.361564098815745e-09 ] [ 5.986911057301709e-10 -3.007335184716845e-10 -4.066468459486272e-09 ] [ -1.010201198593574e-10 1.204298006844025e-09 1.131535315828055e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.121534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.024913445343231e-18 } }