{ "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" [ [ -1.7875356 0.7822192 -0.3919387 ] [ -0.371985 -1.4041873 2.4687128 ] [ 0.1333493 1.0064634 -1.6647028 ] [ 1.6582041 -0.4704051 -1.1743237 ] [ -0.1122774 0.5159656 0.5894363 ] [ -2.026162 -1.3810616 1.6333338 ] [ 0.2453951 -0.2370495 -3.8890308 ] [ 2.2610115 1.1880554 2.428513 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.86394777076317e-09 1.253253324906173e-09 -6.279550271003357e-10 ] [ -5.959856751984899e-10 -2.249756081819548e-09 3.955313964216715e-09 ] [ 2.136491326202562e-10 1.612532142456195e-09 -2.667147928714375e-09 ] [ 2.656735863422999e-09 -7.536720597344334e-10 -1.881473992892426e-09 ] [ -1.798882268062716e-10 8.266680282677903e-10 9.443810670914142e-10 ] [ -3.246269413098707e-09 -2.212704625634654e-09 2.616889249882429e-09 ] [ 3.931662953180934e-10 -3.79795170001383e-10 -6.230914276666326e-09 ] [ 3.62253979450529e-09 1.903474601777524e-09 3.890906783965242e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.936244 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.75762104505227e-18 } }