{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8122239 0.1628577 0.5034899 ] [ -0.3602223 0.2304666 -0.3832775 ] [ -0.4730972 -0.3298973 -1.5562992 ] [ -0.2419706 1.975727 -1.2684622 ] [ -0.5419215 -1.1246727 -0.2899339 ] [ 0.2003156 0.3050651 0.3328661 ] [ -0.0113357 -1.8271013 0.892216 ] [ 0.6160079 0.6075548 1.7694007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.301326143434997e-09 2.609267994572601e-10 8.0667974658893e-10 ] [ -5.771397473508039e-10 3.692481983952653e-10 -6.14078249778672e-10 ] [ -7.579852732059418e-10 -5.285537413250439e-10 -2.493466193209744e-09 ] [ -3.876796382409485e-10 3.165463608483322e-09 -2.032300481208534e-09 ] [ -8.682539576088672e-10 -1.801924305992012e-09 -4.645253161573651e-10 ] [ 3.209409711015245e-10 4.887681710420141e-10 5.333102832768749e-10 ] [ -1.816179352040256e-11 -2.927338986693287e-09 1.429487615903693e-09 ] [ 9.869534556081045e-10 9.734100964148198e-10 2.834892434367154e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.509109038775915 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.805268515296473e-18 } }