{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.032532 0.301315 -0.7723893999999999 ] [ -0.3764526 -0.7830551 0.17303119999999997 ] [ 0.3110025 0.1624968 1.3669969999999998 ] [ -2.2752091 -1.7935964 2.3287139999999997 ] [ 1.095053 2.2084726 -0.7700418999999998 ] [ -0.8879328 0.6525928 -1.4086048999999998 ] [ -0.6474382 -0.5161076 -2.0001240999999994 ] [ -0.2515548 -0.232118 1.0824180999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.858651872227866e-09 4.82759848496352e-10 -1.237504238833739e-09 ] [ -6.031435545593742e-10 -1.254592574018206e-09 2.772265433089689e-10 ] [ 4.98280934510352e-10 2.603485739148134e-10 2.190170634103738e-09 ] [ -3.645286827451409e-09 -2.873658219231045e-09 3.731011127329651e-09 ] [ 1.754468315136903e-09 3.53836316739739e-09 -1.233743129216411e-09 ] [ -1.422625173001482e-09 1.04556892706241e-09 -2.256833838724322e-09 ] [ -1.037310347452835e-09 -8.268955305371981e-10 -3.20455207171864e-09 ] [ -4.030352194100199e-10 -3.718940328668544e-10 1.734224973750756e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.878519240654235 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.704236892109919e-18 } }