{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2100136 1.1601525 -2.340417 ] [ -0.6104403 0.2922895 0.4541609 ] [ -0.5101277 -0.6627678 -1.4516707 ] [ -1.4768459 -1.0992448 3.5008675 ] [ 3.5300688 1.8604791 -2.0063119 ] [ -0.2097319 -1.715908 -0.1645072 ] [ -0.2210129 0.9002353 -0.0199259 ] [ -1.7119237 -0.7352359 2.0278043 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.938655516742222e-09 1.858769227376685e-09 -3.749761431216377e-09 ] [ -9.780331851119502e-10 4.682994072635429e-10 7.276459820564105e-10 ] [ -8.173146812961617e-10 -1.061871082927585e-09 -2.325832875802424e-09 ] [ -2.3661679929987e-09 -1.761184333606003e-09 5.609008107229995e-09 ] [ 5.655793747772419e-09 2.980816142065349e-09 -3.214466046696144e-09 ] [ -3.360275495844246e-10 -2.749187703693671e-09 -2.635695919647648e-10 ] [ -3.541017041925786e-10 1.44233596276198e-09 -3.19248113914206e-11 ] [ -2.742804151330825e-09 -1.177977779457961e-09 3.248900667784726e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.67528207419016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.113633701062653e-18 } }