{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3570554999999997 -0.47536779999999995 0.44410789999999994 ] [ 2.3644474999999994 1.5154691999999998 -4.157064199999999 ] [ -5.214218599999999 0.5272673999999999 -2.0583717999999998 ] [ 1.2875397999999998 4.216961399999999 -0.10958899999999999 ] [ -0.11655589999999999 0.30166099999999996 3.8280798999999996 ] [ -0.8360562999999999 -0.5242339999999999 -0.5627431999999999 ] [ 1.5583184999999997 -3.5790381999999994 3.5525293999999996 ] [ 2.3135802999999995 -1.9827190999999997 -0.9369489999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.174242613141187e-09 -7.61623181715985e-10 7.115393003548085e-10 ] [ 3.788262536819714e-09 2.428049341786672e-09 -6.6603511272779e-09 ] [ -8.35409920548819e-09 8.447755081499315e-10 -3.297875202044521e-09 ] [ 2.062866182905033e-09 6.756317021559925e-09 -1.75580935143426e-10 ] [ -1.867431395348406e-10 4.83314205589074e-10 6.133260168865055e-09 ] [ -1.339509868568494e-09 -8.399154655483558e-10 -9.016140059823886e-10 ] [ 2.496701489029928e-09 -5.734251376233417e-09 5.691779596278039e-09 ] [ 3.706764297542709e-09 -3.176666213805508e-09 -1.501157795049666e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.2023 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.64003025230582e-18 } }