{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6654039 -3.5752631 0.9117649 ] [ -1.0504845 2.1019203 3.6749775 ] [ 3.5010644 0.1519635 -1.5961315 ] [ -1.57022 -0.5368331 -1.2379618 ] [ 1.2598994 0.9504783 -0.1707635 ] [ -5.2816373 4.0891504 -6.5898083 ] [ 3.5983547 0.9925768 1.7363477 ] [ -3.1223806 -4.1739931 3.271575 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.270447813569141e-09 -5.728202952028933e-09 1.46080840644605e-09 ] [ -1.683061706412778e-09 3.367647563444923e-09 5.887963032466032e-09 ] [ 5.60932352959518e-09 2.434723669149408e-10 -2.557284573022436e-09 ] [ -2.515769773512576e-09 -8.601014420915884e-10 -1.983433453403485e-09 ] [ 2.018581363239947e-09 1.522834110837729e-09 -2.735932873859809e-10 ] [ -8.462115801605235e-09 6.551541169814969e-09 -1.055803679381379e-08 ] [ 5.765199773685797e-09 1.590283343308478e-09 2.781935690519852e-09 ] [ -5.002605198559477e-09 -6.687474160200516e-09 5.241640978193759e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.957398 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.877092324600068e-18 } }