{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8747154 0.8200399 3.3466009 ] [ -4.9046099 -3.6450087 3.0969611 ] [ 7.2506446 0.6388354 1.3779921 ] [ 0.2703815 -2.1263183 -5.3791195 ] [ 1.2579641 -5.0023681 -3.1530279 ] [ -0.214684 -3.4553896 1.3520636 ] [ -1.6193234 1.8294888 -3.8615434 ] [ -0.1656575 10.9407206 3.220073 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.00362518453372e-09 1.31384875590317e-09 5.361845721128238e-09 ] [ -7.858051315924226e-09 -5.839947721752601e-09 4.961878669947051e-09 ] [ 1.161681326384977e-08 1.023527142419416e-09 2.207786726267096e-09 ] [ 4.331989179968352e-10 -3.4067374686392e-09 -8.618299503389385e-09 ] [ 2.015480670825713e-09 -8.014677218455717e-09 -5.05170758611012e-09 ] [ -3.439616856598273e-10 -5.536144432875464e-09 2.166244689754683e-09 ] [ -2.594442092994367e-09 2.931164183375447e-09 -6.186874555684543e-09 ] [ -2.65412573560176e-10 1.752896676002495e-08 5.159125677869319e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.112493 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.741723620820366e-18 } }