{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.3479022 7.9249654 0.1512092 ] [ 7.540354 0.4543602 -3.0559256 ] [ 17.1136502 16.9765538 -8.3942176 ] [ -2.1971537 -0.9912939 -1.5173264 ] [ -3.9266521 -4.1179864 -4.3907218 ] [ -10.3298593 -15.816254 1.0395467 ] [ -5.0608959 1.5520028 6.6129269 ] [ -6.4873454 -5.9823479 9.5545086 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.363930677757195e-09 1.269719438913846e-08 2.422638470858328e-10 ] [ 1.208097899088843e-08 7.279652958595667e-10 -4.89613259156243e-09 ] [ 2.741909047288942e-08 2.719943782420391e-08 -1.344901929943156e-08 ] [ -3.520228319446645e-09 -1.588227924006732e-09 -2.431024904231337e-09 ] [ -6.291190244467031e-09 -6.597741589209777e-09 -7.03471187435442e-09 ] [ -1.65502592029676e-08 -2.534043259620903e-08 1.665537432691808e-09 ] [ -8.1084491580864e-09 2.486582622062575e-09 1.059507696153005e-08 ] [ -1.039387321656738e-08 -9.584778021838968e-09 1.530801042827205e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -322.54262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.167702492331411e-17 } }