{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0372906 0.0147782 0.1984161 ] [ -0.4848115 0.8219234 -2.1131708 ] [ -1.2950096 0.6677578 0.1784803 ] [ 2.4468276 0.5971268 0.3055452 ] [ 0.4941361 -2.3737064 1.6372131 ] [ -0.1747597 0.6415344 1.3216079 ] [ -0.4619153 -0.3267474 -1.3735614 ] [ 0.5128229 -0.0426668 -0.1545304 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.661922748295604e-09 2.367728653750656e-11 3.178976366103149e-10 ] [ -7.767536507949793e-10 1.316866455568447e-09 -3.385672851517232e-09 ] [ -2.07483410483156e-09 1.069865935516842e-09 2.859569639333702e-10 ] [ 3.920249975848174e-09 9.567025986131174e-10 4.895373760376602e-10 ] [ 7.91693306913291e-10 -3.803096898723333e-09 2.623104552087493e-09 ] [ -2.799959055980217e-10 1.027851417118955e-09 2.117449279244584e-09 ] [ -7.400698944498181e-10 -5.23507045187186e-10 -2.200687962313317e-09 ] [ 8.216328609908563e-10 -6.835974944434943e-11 -2.475849940828723e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.260208 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.809525752294513e-18 } }