{ "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" [ 5.49393 0 0 ] "si-unit" "m" "si-value" [ 5.49393e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.002595 5.45604 0 ] "si-unit" "m" "si-value" [ 2.595e-13 5.45604e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698117 0.0748179 5.57684 ] "si-unit" "m" "si-value" [ -6.981170000000001e-12 7.48179e-12 5.57684e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0568347 0.000259582 0.0366732 ] [ 1.4042 1.34788 1.25876 ] [ -0.0116956 2.70772 2.89683 ] [ 1.4664 4.01047 4.21293 ] [ 2.72042 0.0465962 2.58375 ] [ 4.04434 1.40284 4.02526 ] [ 2.59741 2.72967 0.138309 ] [ 4.11134 4.10597 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.683470000000001e-12 2.59582e-14 3.66732e-12 ] [ 1.4042e-10 1.34788e-10 1.25876e-10 ] [ -1.16956e-12 2.70772e-10 2.89683e-10 ] [ 1.4664e-10 4.01047e-10 4.21293e-10 ] [ 2.72042e-10 4.65962e-12 2.583750000000001e-10 ] [ 4.04434e-10 1.40284e-10 4.02526e-10 ] [ 2.59741e-10 2.72967e-10 1.38309e-11 ] [ 4.11134e-10 4.10597e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2678972 -1.067386 -3.0930763 ] [ -3.1130764 0.8976014 2.9398398 ] [ 1.2926202 0.0247958 -3.4771421 ] [ -1.9559721 3.8209641 -0.8719289 ] [ -0.5151672 -1.4358553 2.6161762 ] [ -1.0895039 -0.3673063 2.5654993 ] [ 3.6033743 -0.5006023 -1.6460025 ] [ 0.509828 -1.3722114 0.9666345 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.031395251417782e-09 -1.710140894569229e-09 -4.955654534210567e-09 ] [ -4.98769822684423e-09 1.438115977877349e-09 4.710142596457348e-09 ] [ 2.07100586401382e-09 3.972725105403264e-11 -5.570995779819415e-09 ] [ -3.13381276955708e-09 6.121859349936114e-09 -1.396984098579861e-09 ] [ -8.253888436429978e-10 -2.30049379251177e-09 4.191576343533385e-09 ] [ -1.745577676850421e-09 -5.884895665325509e-10 4.110382999138765e-09 ] [ 5.773242059451566e-09 -8.020533013787078e-10 -2.637186723278352e-09 ] [ 8.168345022292222e-10 -2.198525023875237e-09 1.548719196758698e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.86973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.586746617960838e-18 } }