{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.7796679 0.9817776 -1.906005 ] [ -1.2271413 -0.4370685 -0.9554801 ] [ -1.4488585 -0.0130728 -2.2632404 ] [ -0.5534859 2.6955708 2.5588438 ] [ 1.244976 -1.1979514 1.1181241 ] [ 0.5986768 -1.8610314 -1.1354584 ] [ -1.1792324 0.2940586 -0.5208605 ] [ -0.2146027 -0.462283 3.1040766 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.453518959659849e-09 1.572981130504598e-09 -3.05375667528717e-09 ] [ -1.966097117476384e-09 -7.00260938157429e-10 -1.530847890471983e-09 ] [ -2.321327234672289e-09 -2.09449347009552e-11 -3.626110886004813e-09 ] [ -8.867821762284604e-10 4.318780551052687e-09 4.099719746415769e-09 ] [ 1.994671457090784e-09 -1.919329741747587e-09 1.791432306932279e-09 ] [ 9.59185980277891e-10 -2.981701024220307e-09 -1.819204917359026e-09 ] [ -1.889338597335741e-09 4.711338179467524e-10 -8.345105226735568e-10 ] [ -3.438314315333118e-10 -7.40659020895422e-10 4.973278998666164e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.315504 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.658167532673353e-18 } }