{ "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" [ 5.42981 0 0 ] "si-unit" "m" "si-value" [ 5.42981e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0370196 5.47054 0 ] "si-unit" "m" "si-value" [ 3.70196e-12 5.47054e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0339139 -0.0143321 5.52419 ] "si-unit" "m" "si-value" [ -3.39139e-12 -1.43321e-12 5.52419e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0865271 0.0202603 -0.0485063 ] [ 1.27669 1.31148 1.22292 ] [ -0.0137625 2.6467 2.79128 ] [ 1.29807 4.01993 4.311 ] [ 2.70854 -0.0697941 2.82717 ] [ 4.06866 1.27154 4.01384 ] [ 2.71531 2.7055 0.0603487 ] [ 4.06455 4.01651 1.33765 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.65271e-12 2.02603e-12 -4.850630000000001e-12 ] [ 1.27669e-10 1.31148e-10 1.22292e-10 ] [ -1.37625e-12 2.6467e-10 2.79128e-10 ] [ 1.29807e-10 4.019929999999999e-10 4.311e-10 ] [ 2.70854e-10 -6.97941e-12 2.82717e-10 ] [ 4.06866e-10 1.27154e-10 4.01384e-10 ] [ 2.71531e-10 2.7055e-10 6.03487e-12 ] [ 4.06455e-10 4.016510000000001e-10 1.33765e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.2120615 -1.8133187 -1.026633 ] [ 2.8838622 2.375937 4.8934136 ] [ 1.1586182 1.1058941 -1.2712962 ] [ 1.3614426 -0.9703857 -3.5658451 ] [ -2.1937989 -1.5528424 -2.0362189 ] [ 0.2190966 0.8855336 3.2887101 ] [ 0.3595086 -1.647024 -1.5198773 ] [ 1.4233321 1.616206 1.2377468 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.35064308147178e-09 -2.905256827199449e-09 -1.644847390741766e-09 ] [ 4.620456594448853e-09 3.806670713893689e-09 7.840112865824762e-09 ] [ 1.856310992473379e-09 1.771837672100657e-09 -2.036841049751881e-09 ] [ 2.181271504281166e-09 -1.554729281698643e-09 -5.713113652614238e-09 ] [ -3.514853308316757e-09 -2.487927789066962e-09 -3.262382316411093e-09 ] [ 3.510314502167693e-10 1.418781230852859e-09 5.26909443480883e-09 ] [ 5.759962738965388e-10 -2.6388233466965e-09 -2.435111876544628e-09 ] [ 2.280429414254168e-09 2.589447467596685e-09 1.983088985430014e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.480461 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.684596510940619e-18 } }