{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.271479 10.3178926 -7.0306315 ] [ 4.8794837 -0.360252 -2.054737 ] [ 33.711755 30.6212493 -13.8731512 ] [ 0.5882032 -0.180224 -3.6191061 ] [ -1.0064925 -4.1238969 -9.1324071 ] [ -26.0212807 -32.806724 15.1009256 ] [ -4.5276157 0.9965599 8.2381957 ] [ -11.895532 -4.4646049 12.3709116 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.843663790038163e-09 1.653108629964533e-08 -1.126431341876004e-08 ] [ 7.81779470571468e-09 -5.771873319964416e-10 -3.292051583292729e-09 ] [ 5.40121857071375e-08 4.906064972814837e-08 -2.222723850946347e-08 ] [ 9.424054153197467e-10 -2.887506793070592e-10 -5.798447181614668e-09 ] [ -1.612578752510544e-09 -6.607211199769596e-09 -1.463172914724793e-08 ] [ -4.169068758081426e-08 -5.256216619783826e-08 2.419434994876021e-08 ] [ -7.254040022507027e-09 1.596664973006786e-09 1.319904454811509e-08 ] [ -1.905874326237827e-08 -7.153085591889122e-09 1.982038534350352e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.921431 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.230459127628036e-18 } }