{ "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" [ [ 2.5435488 -7.5814748 0.3514913 ] [ 1.3311599 3.9003639 1.3161879 ] [ 4.5353548 -3.4630568 5.4745668 ] [ -12.9431062 12.5570086 -13.4630866 ] [ -1.5025096 -2.3631521 2.5434132 ] [ -3.5019429 7.0378186 -3.9478714 ] [ 15.0104224 -12.9485102 13.324848 ] [ -5.4729271 2.8610027 -5.5995493 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.075214454798738e-09 -1.214686177581982e-08 5.631511479142842e-10 ] [ 2.132753287897776e-09 6.249071904677112e-09 2.108765499333528e-09 ] [ 7.266439487459743e-09 -5.548428687174811e-09 8.771223008232149e-09 ] [ -2.073714232502053e-08 2.011854577185705e-08 -2.15702427720385e-08 ] [ -2.407285773480686e-09 -3.786187077208032e-09 4.074997199647169e-09 ] [ -5.610731087982198e-09 1.127582851525059e-08 -6.325187311116866e-09 ] [ 2.40493480357502e-08 -2.074580048755066e-08 2.134876011720163e-08 ] [ -8.768595919205381e-09 4.583831675750911e-09 -8.971467049391053e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.666559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.23375975429824e-18 } }