{ "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" [ 5.05932 0 0 ] "si-unit" "m" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.224512 5.44129 0 ] "si-unit" "m" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.327401 0.688972 5.24092 ] "si-unit" "m" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 13.3704285 11.9474902 0.6092321 ] [ -4.0571623 -4.8786534 0.0849292 ] [ 9.4051355 9.5945613 -12.9621979 ] [ -14.3643304 23.4144137 -17.8593244 ] [ -4.7584539 -3.7140416 4.6530364 ] [ -8.2105645 -8.2098211 9.1260619 ] [ 18.5152178 -15.7530047 13.8458071 ] [ -9.9002707 -12.4009444 2.5024555 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.142178795277801e-08 1.914198947567712e-08 9.760974272608877e-10 ] [ -6.500290583851156e-09 -7.816464418466431e-09 1.360715786632473e-10 ] [ 1.506868821355612e-08 1.537218180169246e-08 -2.076773042956285e-08 ] [ -2.301419434032671e-08 3.751402621987923e-08 -2.861379201696298e-08 ] [ -7.623883589734581e-09 -5.950550620198625e-09 7.454986135811398e-09 ] [ -1.315477448547044e-08 -1.315358342737054e-08 1.462156301615363e-08 ] [ 2.966464908818001e-08 -2.523909583769252e-08 2.218342843172665e-08 ] [ -1.586198225513125e-08 -1.986850319352068e-08 4.009375696692375e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.5193769 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.63866338896358e-19 } }