{ "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" [ 5.44188 0 0 ] "si-unit" "m" "si-value" [ 5.44188e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0681259 5.43851 0 ] "si-unit" "m" "si-value" [ -6.812590000000001e-12 5.43851e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00252152 -0.017859 5.5414 ] "si-unit" "m" "si-value" [ -2.52152e-13 -1.7859e-12 5.5414e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00431502 -0.0137584 0.0307734 ] [ 1.33409 1.32426 1.37744 ] [ 0.0396224 2.60036 2.83022 ] [ 1.35045 4.04355 3.98016 ] [ 2.67673 0.013858 2.80413 ] [ 4.08887 1.41719 3.918 ] [ 2.72143 2.70354 0.017408 ] [ 3.9766 4.07774 1.36794 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.31502e-13 -1.37584e-12 3.07734e-12 ] [ 1.33409e-10 1.32426e-10 1.37744e-10 ] [ 3.962240000000001e-12 2.60036e-10 2.83022e-10 ] [ 1.35045e-10 4.04355e-10 3.98016e-10 ] [ 2.67673e-10 1.3858e-12 2.80413e-10 ] [ 4.08887e-10 1.41719e-10 3.918e-10 ] [ 2.72143e-10 2.70354e-10 1.7408e-12 ] [ 3.9766e-10 4.077740000000001e-10 1.36794e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3929609 -0.0137781 -2.4136362 ] [ 0.5641739 0.0883652 0.0881791 ] [ -0.0013753 2.5657898 -3.8583213 ] [ -0.5498016 -0.1886913 4.0480102 ] [ 0.8383006 0.0221355 -2.5819609 ] [ -1.1410768 -2.0083404 5.0990595 ] [ -0.5487096 -0.1588763 -1.9018788 ] [ 1.2314498 -0.3066043 1.5205484 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.295927668685268e-10 -2.207494969904448e-11 -3.867071490756553e-09 ] [ 9.039062326455572e-10 1.415766575323162e-10 1.412784924631853e-10 ] [ -2.20347350658624e-12 4.110848431447108e-09 -6.181712182394663e-09 ] [ -8.808792695984333e-10 -3.02316789408359e-10 6.485627303199933e-09 ] [ 1.343105622522612e-09 3.54649805897184e-11 -4.136757389799727e-09 ] [ -1.828206571497278e-09 -3.21771603548812e-09 8.169593918968137e-09 ] [ -8.791296927285197e-10 -2.54547893459207e-10 -3.047145748955159e-09 ] [ 1.973000079248836e-09 -4.912342412967495e-10 2.436187097274847e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.095826 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.302535866326479e-18 } }