{ "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" [ [ -2.1375141 -0.4224678 -1.1876562 ] [ 3.3224429 -1.2593024 -0.2015992 ] [ -1.3309317 2.9890053 0.1555564 ] [ -0.6525093 -1.4407023 -1.648571 ] [ -3.0027343 4.4119331 4.2035696 ] [ -1.9380578 -1.5165237 1.3383021 ] [ 2.182278 0.4049203 -1.0072504 ] [ 3.5570263 -3.1668626 -1.6523514 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.424675117650353e-09 -6.768680322008103e-10 -1.902834997188169e-09 ] [ 5.323140338322952e-09 -2.01762486379733e-09 -3.229975250119834e-10 ] [ -2.132387653621599e-09 4.788914411107291e-09 2.492288272958131e-10 ] [ -1.045435145314573e-09 -2.308259542592788e-09 -2.641301913928877e-09 ] [ -4.810910693934254e-09 7.068696065353668e-09 6.734860937025608e-09 ] [ -3.105110896919082e-09 -2.429738817029113e-09 2.144196336187544e-09 ] [ 3.496394791686183e-09 6.487538379473223e-10 -1.613793042171448e-09 ] [ 5.698984377430727e-09 -5.073873219005902e-09 -2.647358782426149e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.265441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.169493523000178e-18 } }