{ "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" [ [ -0.5807576 4.1195553 1.0129092 ] [ 6.4696414 0.5768251 -2.7649569 ] [ -30.8343514 -22.5435134 11.7465592 ] [ -2.3147345 -1.3916086 -0.9622924 ] [ -2.600688 -2.9180617 -3.095979 ] [ 35.6630576 24.1853953 -16.4502954 ] [ -3.2600275 -0.0924637 4.163317 ] [ -2.54214 -1.9361284 6.3507383 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.304762490719181e-10 6.60025518975273e-09 1.622859439233231e-09 ] [ 1.036550819603978e-08 9.24175689510622e-10 -4.429949302699644e-09 ] [ -4.940207693061175e-08 -3.611869012017152e-08 1.882006252508315e-08 ] [ -3.708613499259178e-09 -2.229602764224219e-09 -1.541762385653522e-09 ] [ -4.16676151159511e-09 -4.675250233791904e-09 -4.960305172287763e-09 ] [ 5.713851711296376e-08 3.874927491446621e-08 -2.635627869513379e-08 ] [ -5.223139843665072e-09 -1.48143178412665e-10 6.670369162379194e-09 ] [ -4.072957274800512e-09 -3.102019657346911e-09 1.017500442907914e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -222.16104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.559412243406137e-17 } }