{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3232394 0.241513 1.6120348 ] [ -0.3612684 -0.5277579 -0.2266165 ] [ 1.5601528 1.4832911 0.7311319 ] [ -1.39394 0.0697808 -2.8585967 ] [ 0.2151808 -0.0397405 -0.3314561 ] [ -2.0517952 0.7411212 -0.3822426 ] [ 2.6883737 -1.6210317 1.0692767 ] [ -1.979943 -0.347176 0.3864685 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.120063247868179e-09 3.86946485407242e-10 2.582764489754863e-09 ] [ -5.788157890825655e-10 -8.455613757889086e-10 -3.630796611788609e-10 ] [ 2.499640361629675e-09 2.376494341840157e-09 1.171402446552024e-09 ] [ -2.233338097197959e-09 1.118011672618272e-10 -4.579976838769507e-09 ] [ 3.447576498454272e-10 -6.3671300523477e-11 -5.310512186167673e-10 ] [ -3.287338327193356e-09 1.187407069602041e-09 -6.124201622394083e-10 ] [ 4.307249525600126e-09 -2.597179112713298e-09 1.713170144020628e-09 ] [ -3.172218411251862e-09 -5.562372750855839e-10 6.191908004770289e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.92095729230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.594954181064053e-18 } }