{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3696043 0.6595352 0.0013418 ] [ -0.7384563 0.1906994 0.5530843 ] [ 0.4817523 0.3526299 -1.5819969 ] [ 1.2321848 0.7008436 -1.3292635 ] [ -0.8906276 -1.34719 0.262494 ] [ 0.170637 -0.6881814 0.5288586 ] [ -0.0035291 0.527395 0.6200714 ] [ -0.6215654 -0.3957318 0.9454103 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.921713732859262e-10 1.056691886740517e-09 2.1498006075012e-12 ] [ -1.183137429090094e-09 3.055341227978195e-10 8.86138742092246e-10 ] [ 7.718522784357581e-10 5.649753862297565e-10 -2.534638468240434e-09 ] [ 1.974177695329963e-09 1.122875240008442e-09 -2.129714920129058e-09 ] [ -1.426942730315498e-09 -2.15843633955846e-09 4.20561753365196e-10 ] [ 2.73390614295858e-10 -1.102588159033407e-09 8.473248916099523e-10 ] [ -5.654241559049399e-12 8.449799458884299e-10 9.934639084916676e-10 ] [ -9.958575603828636e-10 -6.340322432907611e-10 1.51471429220293e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.9487606015624763 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.520082067083183e-19 } }