{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3291851 -1.7757085 -2.5324604 ] [ 1.2322031 0.2068141 6.1691932 ] [ -1.4334863 -4.2939781 -5.4926971 ] [ -0.201847 -0.1143143 8.0986458 ] [ 1.3243023 0.4535518 -7.1887823 ] [ 0.6534852 0.9679164 6.552376 ] [ 1.2242851 0.8616524 -5.2175054 ] [ -0.4697573 3.6940663 -0.3887698 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.731765943480953e-09 -2.844998667495189e-09 -4.057448879410294e-09 ] [ 1.974207015162365e-09 3.313527186017394e-10 9.884137195671687e-09 ] [ -2.296698255019114e-09 -6.879711378727716e-09 -8.800270951259562e-09 ] [ -3.23394547042998e-10 -1.831517003920662e-10 1.297546106780224e-08 ] [ 2.121766201412458e-09 7.266700962686412e-10 -1.151769902797278e-08 ] [ 1.046998718104817e-09 1.550773039745397e-09 1.049806372438238e-08 ] [ 1.961520980574353e-09 1.380519341910022e-09 -8.359365239648824e-09 ] [ -7.526341697109282e-10 5.918546710306834e-09 -6.228778895648532e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.681910292303478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.114695658681274e-18 } }