{ "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" [ 5.30636 0 0 ] "si-unit" "m" "si-value" [ 5.30636e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0781877 5.44815 0 ] "si-unit" "m" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00200818 -0.0968672 5.44923 ] "si-unit" "m" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0183636 0.00704735 0.0168371 ] [ 1.29138 1.3449 1.40641 ] [ -0.0614737 2.68753 2.83465 ] [ 1.25782 4.05715 4.11756 ] [ 2.70205 0.0250121 2.83894 ] [ 3.96698 1.43423 4.04452 ] [ 2.67871 2.79142 0.0958918 ] [ 4.00247 4.11579 1.29634 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.83636e-12 7.04735e-13 1.68371e-12 ] [ 1.29138e-10 1.3449e-10 1.40641e-10 ] [ -6.14737e-12 2.687530000000001e-10 2.83465e-10 ] [ 1.25782e-10 4.05715e-10 4.117560000000001e-10 ] [ 2.70205e-10 2.50121e-12 2.83894e-10 ] [ 3.96698e-10 1.43423e-10 4.044520000000001e-10 ] [ 2.67871e-10 2.79142e-10 9.589180000000001e-12 ] [ 4.00247e-10 4.11579e-10 1.29634e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.23517760000000004 1.3860531000000003 -1.0843137000000003 ] [ 0.5780725000000001 0.23008230000000005 0.5751703000000001 ] [ 0.7683999000000002 1.0645523000000001 -2.2267533000000004 ] [ 0.8669937000000002 -0.21278610000000006 0.7870378000000002 ] [ -0.4462077000000001 -0.7027088000000001 -1.8903106000000005 ] [ -0.09465280000000002 -1.3393922000000003 2.3020922000000006 ] [ -1.3488652000000003 -0.38466470000000014 -1.1374404000000002 ] [ -0.5589179000000001 -0.041136000000000006 2.6745177000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.767960555601984e-10 2.220701890303265e-09 -1.737262074066086e-09 ] [ 9.261742522579651e-10 3.686324849569782e-10 9.215244152307703e-10 ] [ 1.231112365347937e-09 1.705600820730958e-09 -3.567652106942392e-09 ] [ 1.389077047965206e-09 -3.409209174599875e-10 1.260973573234765e-09 ] [ -7.149035508508819e-10 -1.125863619866179e-09 -3.028611474322521e-09 ] [ -1.516505045026752e-10 -2.145942886601855e-09 3.688358332153655e-09 ] [ -2.161120305855737e-09 -6.1630079426462e-10 -1.822380431447614e-09 ] [ -8.954851997043487e-10 -6.590713801622401e-11 4.285049766159422e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.07282829230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.619286597822275e-18 } }