{ "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" [ [ -4.5061729 -2.2672709 -2.1236089 ] [ 5.680843 -2.6028101 -0.9754504 ] [ -2.8305387 5.7705709 2.6612905 ] [ 0.1019464 -1.5686286 -1.0488912 ] [ -4.6581809 8.8544874 6.8770506 ] [ -2.9279909 -2.4159548 1.4828774 ] [ 2.7824756 0.5758666 -2.5292632 ] [ 6.3576184 -6.3462604 -4.3440047 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.219684869662536e-09 -3.632568429000175e-09 -3.402396531302805e-09 ] [ 9.101713841035334e-09 -4.17016149060211e-09 -1.562843825630008e-09 ] [ -4.535022929409625e-09 9.245473784648815e-09 4.263857420257142e-09 ] [ 1.633361386547251e-10 -2.513220069638235e-09 -1.680508958402857e-09 ] [ -7.463228533437102e-09 1.418645270144818e-08 1.101824969137861e-08 ] [ -4.691158565895151e-09 -3.87078629746954e-09 2.37583150179269e-09 ] [ 4.458017354266454e-09 9.226400032195853e-10 -4.052326366889794e-09 ] [ 1.01860275644479e-08 -1.016783004238886e-08 -6.959862770985318e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.606706 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.262864230969909e-18 } }