{ "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" [ 5.45189 0 0 ] "si-unit" "m" "si-value" [ 5.451889999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103872 5.48254 0 ] "si-unit" "m" "si-value" [ 1.03872e-11 5.482540000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0133572 0.0848103 5.46172 ] "si-unit" "m" "si-value" [ -1.33572e-12 8.481030000000001e-12 5.46172e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515087 0.139447 0.129479 ] [ 1.28089 1.29793 1.3896 ] [ -0.0267641 2.78569 2.67144 ] [ 1.28772 4.21003 3.97686 ] [ 2.71226 0.0930415 2.84614 ] [ 4.11731 1.46571 4.11351 ] [ 2.72029 2.73709 -0.0733662 ] [ 4.08924 4.18171 1.22387 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15087e-12 1.39447e-11 1.29479e-11 ] [ 1.28089e-10 1.29793e-10 1.3896e-10 ] [ -2.67641e-12 2.78569e-10 2.67144e-10 ] [ 1.28772e-10 4.21003e-10 3.97686e-10 ] [ 2.71226e-10 9.304150000000001e-12 2.84614e-10 ] [ 4.11731e-10 1.46571e-10 4.11351e-10 ] [ 2.72029e-10 2.73709e-10 -7.336620000000001e-12 ] [ 4.089240000000001e-10 4.18171e-10 1.22387e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1559236 -0.5997202 -0.4682608 ] [ 0.7889962 0.6003402 0.252145 ] [ -0.090444 0.2332668 -0.0897784 ] [ -0.188275 -0.0823179 0.1438189 ] [ 0.3861777 -0.1940656 0.0032754 ] [ -0.0243245 -0.0107822 -0.0922309 ] [ -0.3215975 0.1049866 0.2640574 ] [ -0.3946093 -0.0517077 -0.0130266 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.498171465509709e-10 -9.608576834615002e-10 -7.502365061971046e-10 ] [ 1.264111265540041e-09 9.618510329663962e-10 4.03980824051616e-10 ] [ -1.449072622916352e-10 3.737346133688294e-10 -1.438408535328307e-10 ] [ -3.0164980328112e-10 -1.318878148533523e-10 2.304232792091731e-10 ] [ 6.187248824143163e-10 -3.109273672215245e-10 5.24776930376832e-12 ] [ -3.897214521264959e-11 -1.727498876078976e-11 -1.477701916953427e-10 ] [ -5.15255995807728e-10 1.682070760172813e-10 4.230665928292339e-10 ] [ -6.322337948102534e-10 -8.284486805534017e-11 -2.087091396851328e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 147.8379 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.368624270481683e-17 } }