{ "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" [ 5.23298 0 0 ] "si-unit" "m" "si-value" [ 5.23298e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.924429 5.53043 0 ] "si-unit" "m" "si-value" [ -9.24429e-11 5.53043e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.629107 -0.473789 5.46851 ] "si-unit" "m" "si-value" [ -6.29107e-11 -4.73789e-11 5.46851e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.204863 0.0604192 -0.0594365 ] [ 1.57212 1.62558 1.26329 ] [ -0.456749 2.61396 2.82457 ] [ 0.563094 3.85296 4.15247 ] [ 2.57153 0.0726254 2.31215 ] [ 3.48703 1.34311 4.10214 ] [ 2.49706 2.93083 0.328276 ] [ 3.43659 4.115 1.72734 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04863e-11 6.04192e-12 -5.94365e-12 ] [ 1.57212e-10 1.62558e-10 1.26329e-10 ] [ -4.56749e-11 2.61396e-10 2.82457e-10 ] [ 5.63094e-11 3.85296e-10 4.15247e-10 ] [ 2.57153e-10 7.262540000000001e-12 2.31215e-10 ] [ 3.48703e-10 1.34311e-10 4.102140000000001e-10 ] [ 2.49706e-10 2.93083e-10 3.28276e-11 ] [ 3.43659e-10 4.115e-10 1.72734e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7574951 1.0992719 0.4739605 ] [ -39.9150854 -30.9034584 22.0678847 ] [ -1.4593518 -7.6090507 -13.7931035 ] [ 8.4090474 10.4133982 12.3346759 ] [ 5.9554502 -8.801094 9.4437184 ] [ -4.121435 -3.5037123 5.8681419 ] [ 22.9355735 29.4015133 -41.046282 ] [ 6.438306 9.903132 4.6510041 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.815817583589493e-09 1.761227752592784e-09 7.59368438538957e-10 ] [ -6.395101717199454e-08 -4.951279895827102e-08 3.53566492281461e-08 ] [ -2.338139354745841e-09 -1.219104323846134e-08 -2.209898813804362e-08 ] [ 1.347277925847845e-08 1.668410327657766e-08 1.976232951494292e-08 ] [ 9.541683155390626e-09 -1.41009071604376e-08 1.513050495855587e-08 ] [ -6.603266855549789e-09 -5.613565979318397e-09 9.401799837176363e-09 ] [ 3.674683994908959e-08 4.710641761350023e-08 -6.576339393297478e-08 ] [ 1.0315303435742e-08 1.586656669381769e-08 7.451730093658198e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.501963 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.804123616773254e-18 } }