{ "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" [ 5.40884 0 0 ] "si-unit" "m" "si-value" [ 5.40884e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0760511 5.4684 0 ] "si-unit" "m" "si-value" [ 7.60511e-12 5.4684e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0640574 0.226818 5.41063 ] "si-unit" "m" "si-value" [ 6.40574e-12 2.26818e-11 5.41063e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00830896 0.0131794 0.144184 ] [ 1.38941 1.30499 1.31845 ] [ 0.000666759 2.66681 2.72971 ] [ 1.38566 4.09949 4.22322 ] [ 2.74889 -0.0321093 2.66684 ] [ 4.05308 1.21875 4.179 ] [ 2.6535 2.74282 -0.0977168 ] [ 4.21539 3.9917 1.44444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.308960000000001e-13 1.31794e-12 1.44184e-11 ] [ 1.38941e-10 1.30499e-10 1.31845e-10 ] [ 6.667589999999999e-14 2.66681e-10 2.72971e-10 ] [ 1.38566e-10 4.099490000000001e-10 4.223220000000001e-10 ] [ 2.74889e-10 -3.21093e-12 2.66684e-10 ] [ 4.05308e-10 1.21875e-10 4.179e-10 ] [ 2.6535e-10 2.74282e-10 -9.771680000000001e-12 ] [ 4.21539e-10 3.9917e-10 1.44444e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6889241 -3.1324645 -0.1270445 ] [ 0.4950989 1.4966895 0.9892291 ] [ 1.6264556 -1.2804491 2.1029933 ] [ -3.2732654 3.6790014 -4.3506996 ] [ -0.3958459 -0.952353 1.192347 ] [ -1.3708618 2.940516 -1.8680424 ] [ 4.606627 -3.891664 4.1362033 ] [ -2.3771326 1.1407237 -2.0749861 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.103778086525681e-09 -5.018761387385962e-09 -2.035477277012256e-10 ] [ 7.932358825637972e-10 2.397960925496842e-09 1.584919736635025e-09 ] [ 2.605869137089236e-09 -2.051505612144401e-09 3.369366698959041e-09 ] [ -5.244349297553561e-09 5.894410030970469e-09 -6.970589183243911e-09 ] [ -6.342150464195347e-10 -1.525837711348742e-09 1.910350487281018e-09 ] [ -2.196362726307805e-09 4.711225988288333e-09 -2.992933859943122e-09 ] [ 7.380630080146041e-09 -6.235133076809012e-09 6.626928226135809e-09 ] [ -3.808586276261518e-09 1.827640842932473e-09 -3.32449421790497e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.051286 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.615835095817435e-18 } }