{ "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" [ 5.59774 0 0 ] "si-unit" "m" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.20689 5.51351 0 ] "si-unit" "m" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.513105 0.215809 5.94806 ] "si-unit" "m" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00246673 -0.00144352 -0.0330248 ] [ 1.48237 1.24989 1.2555 ] [ 0.11896 2.3805 2.33914 ] [ 1.62926 4.22989 4.16904 ] [ 2.92639 0.137476 2.28463 ] [ 4.54625 1.57381 3.68026 ] [ 3.00188 2.71108 0.0736878 ] [ 4.22934 4.27512 1.23802 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.46673e-13 -1.44352e-13 -3.30248e-12 ] [ 1.48237e-10 1.24989e-10 1.2555e-10 ] [ 1.1896e-11 2.3805e-10 2.33914e-10 ] [ 1.62926e-10 4.22989e-10 4.16904e-10 ] [ 2.92639e-10 1.37476e-11 2.28463e-10 ] [ 4.54625e-10 1.57381e-10 3.68026e-10 ] [ 3.00188e-10 2.71108e-10 7.36878e-12 ] [ 4.22934e-10 4.27512e-10 1.23802e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.5760191 5.6036459 -4.9506987 ] [ 1.4453692 -1.2072682 -15.5013536 ] [ 18.7906701 29.6380145 -27.4800295 ] [ 0.0917352 1.7825665 -0.4083456 ] [ 10.0449686 -6.4993879 7.4980438 ] [ -30.8580249 -21.5392412 32.9447831 ] [ -0.9112784 -1.0230767 1.6110665 ] [ -5.1794589 -6.7552528 6.286534 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.053594405995426e-08 8.978030452221774e-09 -7.931893713764952e-09 ] [ 2.315736740664399e-09 -1.934256885075299e-09 -2.483590632867391e-08 ] [ 3.01059723233856e-08 4.748533391883141e-08 -4.402786080379432e-08 ] [ 1.469759927444122e-10 2.855986371321283e-09 -6.542417735265485e-10 ] [ 1.609381384759011e-08 -1.041316734289041e-08 1.201319047809439e-08 ] [ -4.944000605884427e-08 -3.450966868041214e-08 5.278336126014696e-08 ] [ -1.460028947520031e-09 -1.639149570025215e-09 2.581213080854083e-09 ] [ -8.298407957974485e-09 -1.082310810375374e-08 1.007213780066431e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -44.751649 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.170004577004771e-18 } }