{ "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" [ 5.51626 0 0 ] "si-unit" "m" "si-value" [ 5.516260000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0156708 5.55287 0 ] "si-unit" "m" "si-value" [ 1.56708e-12 5.55287e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0707378 -0.0779479 5.31818 ] "si-unit" "m" "si-value" [ 7.073780000000001e-12 -7.79479e-12 5.31818e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0442334 -0.0178769 0.0866315 ] [ 1.37385 1.41168 1.32363 ] [ 0.027051 2.64271 2.7677 ] [ 1.3087 3.96384 4.18589 ] [ 2.72942 0.00808237 2.56914 ] [ 4.1019 1.31789 4.05807 ] [ 2.73169 2.7615 0.0742825 ] [ 4.00667 4.08894 1.33622 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.42334e-12 -1.78769e-12 8.66315e-12 ] [ 1.37385e-10 1.41168e-10 1.32363e-10 ] [ 2.7051e-12 2.64271e-10 2.7677e-10 ] [ 1.3087e-10 3.96384e-10 4.18589e-10 ] [ 2.72942e-10 8.082370000000001e-13 2.56914e-10 ] [ 4.1019e-10 1.31789e-10 4.05807e-10 ] [ 2.73169e-10 2.7615e-10 7.42825e-12 ] [ 4.00667e-10 4.08894e-10 1.33622e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8545394 0.1256437 -0.0056045 ] [ 0.0070974 -0.403642 0.5073103 ] [ -1.0992621 0.7650221 -0.5861973 ] [ 1.4265239 1.0304571 -1.794032 ] [ -0.6945323 -0.7566421 1.845066 ] [ 0.6742038 -0.8116481 -0.2347306 ] [ -0.5440527 -0.2931647 -0.4960258 ] [ 2.0845615 0.3439741 0.764214 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.971299669032459e-09 2.01303398690809e-10 -8.979398871273602e-12 ] [ 1.137128834846592e-11 -6.467057755729536e-10 8.128007021510343e-10 ] [ -1.761212036751512e-09 1.22570052301532e-09 -9.391916092360839e-10 ] [ 2.285543241592438e-09 1.650974274357368e-09 -2.874356127367066e-09 ] [ -1.112763413450452e-09 -1.212274282933016e-09 2.956121609032973e-09 ] [ 1.080193566014519e-09 -1.30040361013674e-09 -3.760798795063565e-10 ] [ -8.71668516423116e-10 -4.697016283838458e-10 -7.947209400736167e-10 ] [ 3.339835699919779e-09 5.511072611807213e-10 1.224405804088051e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.01753 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.687814843456263e-18 } }