{ "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" [ 5.46441 0 0 ] "si-unit" "m" "si-value" [ 5.46441e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.239301 5.60761 0 ] "si-unit" "m" "si-value" [ 2.39301e-11 5.60761e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.167861 -0.733416 5.71653 ] "si-unit" "m" "si-value" [ 1.67861e-11 -7.33416e-11 5.71653e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00327702 -0.0382766 0.433443 ] [ 1.09616 1.45225 1.46895 ] [ 0.130178 2.57242 2.88603 ] [ 1.56489 3.87283 4.50025 ] [ 2.74098 -0.214768 2.33093 ] [ 4.21449 1.24218 3.87733 ] [ 2.20243 2.94328 0.228142 ] [ 4.00805 4.02926 1.38377 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.27702e-13 -3.82766e-12 4.33443e-11 ] [ 1.09616e-10 1.45225e-10 1.46895e-10 ] [ 1.30178e-11 2.57242e-10 2.88603e-10 ] [ 1.56489e-10 3.87283e-10 4.500250000000001e-10 ] [ 2.74098e-10 -2.14768e-11 2.33093e-10 ] [ 4.21449e-10 1.24218e-10 3.87733e-10 ] [ 2.20243e-10 2.94328e-10 2.28142e-11 ] [ 4.00805e-10 4.02926e-10 1.38377e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.5317411 -1.9246159 -3.1644775 ] [ 5.6132749 -2.0406063 -1.3274265 ] [ -1.997424 5.8503962 2.3826927 ] [ 0.0514263 0.44625379999999987 -4.2134904 ] [ -6.6174199 9.466896 12.921857 ] [ -5.2597551 -2.6713823 2.4859479 ] [ 4.9985123 -1.7997154 -3.8369584 ] [ 7.7431266 -7.327226 -5.2481447 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.260649641938474e-09 -3.083574598999951e-09 -5.070051867547632e-09 ] [ 8.993457810903458e-09 -3.269411706117191e-09 -2.126771704130372e-09 ] [ -3.200226034624819e-09 9.37336801405716e-09 3.817494538490829e-09 ] [ 8.239401555424704e-11 7.149774053031588e-10 -6.750755810845241e-09 ] [ -1.060227545379668e-08 1.516763944274504e-08 2.070309718272082e-08 ] [ -8.427056652353566e-09 -4.280026266278931e-09 3.982927605906857e-09 ] [ 8.008499545841236e-09 -2.88346193797372e-09 -6.147485043462175e-09 ] [ 1.240585641041459e-08 -1.17395101925179e-08 -8.40845474091543e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.800912 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.454197124331817e-18 } }