{ "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" [ [ 1.3651894 1.2661928 -2.6113747 ] [ -0.7264616 0.4635214 0.4357592 ] [ -0.5917272 -0.8111376 -1.560165 ] [ -1.6046891 -1.3171295 3.8891824 ] [ 3.7563136 2.0115051 -2.2264483 ] [ -0.128064 -1.8728286 -0.3445925 ] [ -0.3388341 1.0600292 0.1864411 ] [ -1.7317268 -0.8001528 2.2311977 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.18727453964398e-09 2.02866450158529e-09 -4.183883492488613e-09 ] [ -1.163919791428961e-09 7.42643150320485e-10 6.981632025385114e-10 ] [ -9.480514857314458e-10 -1.299585698971822e-09 -2.499659887590432e-09 ] [ -2.570995359672594e-09 -2.110274091465994e-09 6.231157115306834e-09 ] [ 6.018277830313083e-09 3.222786443839966e-09 -3.567163413679904e-09 ] [ -2.051811467661312e-10 -3.000602197685595e-09 -5.520980472030241e-10 ] [ -5.428720733498094e-10 1.698354001605327e-09 2.987115715762349e-10 ] [ -2.774532192572797e-09 -1.281986109227658e-09 3.574772791322732e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.819474 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.738912381215346e-18 } }